SCHEMBL9019451

SCHEMBL9019451

CCN[C@H](C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
CASR P41180 2/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
SMPD1 P17405 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
HTR2B P41595 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KCNH2 Q12809 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61

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
SCHEMBL1469953 1.00 CYP3A4 (0.61) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL8366747 1.00 CYP3A4 (0.61) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL3881699 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL3881700 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL5471668 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL24406703 0.83 CYP3A4 (0.76) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL12747746 0.82 ACACB (0.53) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL12964248 0.82 CYP3A4 (0.68) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL12964253 0.82 CYP3A4 (0.68) CYP3A4CASRCHRM2HTR1AADRA2A
SCHEMBL172559 0.82 CYP3A4 (0.68) CYP3A4CASRCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136552-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2025-05-01 US disclosed
EP-4436664-A1 ANTAGONISTS OF CAV 2.3 Lario Therapeutics Limited (GB) 2024-10-02 EP disclosed
CN-117327050-A Bimetal synergistic promotion system and application thereof in asymmetric synthesis of (S, S) -TBAJ-587 上海交通大学 2024-01-02 CN disclosed
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
WO-2021074778-A1 AN INDUSTRIAL PROCESS FOR RESOLUTION OF CHLOCYPHOS HIKAL LIMITED (IN) 2021-04-22 WO disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
WO-2011054845-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
US-7928135-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-04-19 US disclosed
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-02-10 US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 US disclosed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
EP-0711278-A1 2-(2-HYDROXYPHENYL)-5-(N-PHENYLMETHYL-AMINOMETHYL)-PYRROLES AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004037-A1 2-(2-HYDROXYPHENYL)-5-(N-PHENYLMETHYL-AMINOMETHYL)-PYRROLES AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 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 (7 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-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 CYP3A4 1143/4885CASR 4777/4885CHRM2 4483/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 CYP3A4 1143/4885CASR 4777/4885CHRM2 4483/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR CYP3A4 48/4885CASR 4225/4885CHRM2 1595/4885
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 CYP3A4 45/4885CASR 3308/4885CHRM2 284/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX CYP3A4 4214/4885CASR 4363/4885CHRM2 3940/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR CYP3A4 48/4885CASR 4225/4885CHRM2 1595/4885
US-20250136552-A1 ANTAGONISTS OF CAV 2.3 CACNA1E, CACNA1A, CACNA1S CYP3A4 2976/4885CASR 190/4885CHRM2 239/4885

“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.