SCHEMBL7600904

SCHEMBL7600904

CC(C)C1CCCCN1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.43
CHRNA3 P32297 6/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL13416621 1.00 CHRNB4 (0.43) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL17735692 1.00 CHRNB4 (0.43) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL12889418 0.98 CHRNB4 (0.42) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL21398764 0.98 CHRNB4 (0.42) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL20259549 0.98 CHRNB4 (0.42) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL2756894 0.92
SCHEMBL1615410 0.92
SCHEMBL6891743 0.92
SCHEMBL7600258 0.81
SCHEMBL13620950 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-20230381172-A1 COMBINATIONS OF BCL-2 INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS ZENO MANAGEMENT, INC. 2023-11-30 US disclosed
US-20230381172-A1 COMBINATIONS OF BCL-2 INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS ZENO MANAGEMENT, 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-20230382894-A1 CCR4 ANTAGONISTS CHEMOCENTRYX, INC. 2023-11-30 US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-7652153-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, (S,S)-3-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyrylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED 2010-01-26 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-09-10 US disclosed
US-7553846-B2 2-alkylbenzoxazole carboxamides as 5-HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2009-06-30 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20090082313-A1 Multikinase Inhibitors for Use in the Treatment of Cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090048429-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-09-04 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 (15 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-20230382894-A1 CCR4 ANTAGONISTS CCR4, CCR1, CCR3 CHRNB4 64/4885CHRNA3 155/4885SLC6A2 3170/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 CHRNB4 4425/4885CHRNA3 4546/4885SLC6A2 4646/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT CHRNB4 2626/4885CHRNA3 2631/4885SLC6A2 3969/4885
US-20090082313-A1 Multikinase Inhibitors for Use in the Treatment of Cancer EGFR, ERBB3, FLT3 CHRNB4 4873/4885CHRNA3 4856/4885SLC6A2 4695/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CHRNB4 1401/4885CHRNA3 2425/4885SLC6A2 3626/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 CHRNB4 3970/4885CHRNA3 3594/4885SLC6A2 630/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CHRNB4 3931/4885CHRNA3 4529/4885SLC6A2 3448/4885
US-20090048429-A1 Processes and intermediates CASP1, CASP3, CASP5 CHRNB4 4530/4885CHRNA3 4378/4885SLC6A2 3409/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 CHRNB4 3755/4885CHRNA3 4114/4885SLC6A2 361/4885
US-20230381172-A1 COMBINATIONS OF BCL-2 INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS BCL2, BAD, BAK1 CHRNB4 4831/4885CHRNA3 4784/4885SLC6A2 3770/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CHRNB4 3178/4885CHRNA3 3598/4885SLC6A2 2569/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 CHRNB4 944/4885CHRNA3 265/4885SLC6A2 3658/4885
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A CHRNB4 1730/4885CHRNA3 343/4885SLC6A2 498/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 CHRNB4 4684/4885CHRNA3 4646/4885SLC6A2 3634/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A CHRNB4 1730/4885CHRNA3 343/4885SLC6A2 498/4885

“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.