SCHEMBL4729067

SCHEMBL4729067

CN1CCCC1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13698049 1.00 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13698050 1.00 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9917275 0.92 CYP1A2 (0.38) CHRNB2CHRNA7CHRNA4
SCHEMBL14828705 0.92 CYP1A2 (0.38) CHRNB2CHRNA7CHRNA4
SCHEMBL17148636 0.90 CYP1A2 (0.41) CHRNB2CHRNA7CHRNA4CHRM5
SCHEMBL9891493 0.83
SCHEMBL12210533 0.80 CHRM2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22193299 0.80 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21467160 0.80 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13297114 0.80 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 266 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037447-B2 Systems and processes for polymer production NOVOMER, INC. (US) 2024-07-16 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-07-04 US disclosed
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-07-04 US disclosed
US-20240207178-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-06-27 US disclosed
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. 2009-02-26 US disclosed
US-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-7253007-B2 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2007-08-07 US disclosed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 CHRNB2 3964/4885CHRNB4 4091/4885CHRNA3 3832/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC CHRNB2 3533/4885CHRNB4 4094/4885CHRNA3 4425/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 CHRNB2 4140/4885CHRNB4 4425/4885CHRNA3 4546/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 CHRNB2 799/4885CHRNB4 1304/4885CHRNA3 1091/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT CHRNB2 2117/4885CHRNB4 2626/4885CHRNA3 2631/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 CHRNB2 274/4885CHRNB4 319/4885CHRNA3 203/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CHRNB2 4817/4885CHRNB4 4545/4885CHRNA3 4628/4885
US-20240207178-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS CHMP4B, LIPA, NPC1L1 CHRNB2 278/4885CHRNB4 335/4885CHRNA3 933/4885
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CXCR3, CCR2, CCL2 CHRNB2 262/4885CHRNB4 643/4885CHRNA3 510/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 CHRNB2 4648/4885CHRNB4 4707/4885CHRNA3 4123/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CHRNB2 859/4885CHRNB4 842/4885CHRNA3 1392/4885
US-12037447-B2 Systems and processes for polymer production PGLS, APC, PHYKPL CHRNB2 3533/4885CHRNB4 3406/4885CHRNA3 3842/4885
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS PNLIP, LIPA, PHOSPHO1 CHRNB2 664/4885CHRNB4 860/4885CHRNA3 1973/4885
US-20080269199-A1 ISOQUINOLINE AND BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH1, HRH2 CHRNB2 311/4885CHRNB4 364/4885CHRNA3 100/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CHRNB2 3217/4885CHRNB4 3299/4885CHRNA3 2163/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 CHRNB2 324/4885CHRNB4 281/4885CHRNA3 330/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CHRNB2 4817/4885CHRNB4 4545/4885CHRNA3 4628/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.