SCHEMBL684682

SCHEMBL684682

CCN1CCC(N(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.38
HSD11B1 P28845 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
NPY1R P25929 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL24454832 0.88 KMT2A (0.44) SMN1; SMN2NOS3NOS1NOS2L3MBTL3
SCHEMBL8434577 0.86 HRH3 (0.41) SMN1; SMN2NOS3NOS1NOS2HRH3
SCHEMBL684126 0.86 HRH3 (0.41) SMN1; SMN2NOS3NOS1NOS2HRH3
SCHEMBL734698 0.86 HRH3 (0.41) SMN1; SMN2NOS3NOS1NOS2HRH3
SCHEMBL13804216 0.83 SMN1; SMN2 (0.42) SMN1; SMN2NOS3NOS1NOS2HSD11B1
SCHEMBL10223659 0.81 DRD2 (0.44) NOS3NOS1NOS2NPY1R
SCHEMBL19312034 0.81 SMN1; SMN2 (0.45) SMN1; SMN2NOS3NOS1NOS2HSD11B1
SCHEMBL12464449 0.81 NOS3 (0.44) SMN1; SMN2NOS3NOS1NOS2HSD11B1
SCHEMBL26872754 0.79 ALOX15 (0.41) SMN1; SMN2
SCHEMBL2392074 0.78 SMN1; SMN2 (0.42) SMN1; SMN2NOS3NOS1NOS2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393919-A1 LSD1 MODULATORS Exscientia Al Limited (GB) 2024-07-03 EP disclosed
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
WO-2023163527-A1 NOVEL COMPOUND HAVING INHIBITORY ACTIVITY AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE, AND USES THEREOF 주식회사 카나프테라퓨틱스 2023-08-31 WO disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20080096884-A1 4-Aminoquinoline-3-Carboxamide Derivatives as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-7342011-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2008-03-11 US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20070275951-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions MUELLER STEPHAN G 2007-11-29 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
WO-2005012312-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-10 WO 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 (12 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-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation PDE4B, PDE4A, PDE3B SMN1; SMN2 3728/4885NOS3 39/4885NOS1 134/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC SMN1; SMN2 2264/4885NOS3 4542/4885NOS1 4331/4885
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 1984/4885NOS3 3802/4885NOS1 3261/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 SMN1; SMN2 3149/4885NOS3 3393/4885NOS1 3029/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 SMN1; SMN2 3910/4885NOS3 1193/4885NOS1 766/4885
US-20080096884-A1 4-Aminoquinoline-3-Carboxamide Derivatives as Pde4 Inhibitors PDE4A, PDE4B, PDE3B SMN1; SMN2 3552/4885NOS3 91/4885NOS1 151/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 SMN1; SMN2 3216/4885NOS3 3231/4885NOS1 3032/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 SMN1; SMN2 2106/4885NOS3 3769/4885NOS1 4270/4885
US-20070275951-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SMN1; SMN2 3886/4885NOS3 1011/4885NOS1 924/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 SMN1; SMN2 3095/4885NOS3 2447/4885NOS1 2880/4885
US-11773068-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A SMN1; SMN2 1176/4885NOS3 3032/4885NOS1 2469/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 SMN1; SMN2 3902/4885NOS3 3970/4885NOS1 3915/4885

“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.