SCHEMBL55886

SCHEMBL55886

[CH2]C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
EPHX1 P07099 3/20 0.48
SIGMAR1 Q99720 3/20 0.45
ACP3 P15309 1/20 0.45
TAAR1 Q96RJ0 4/20 0.44
MAOA P21397 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC18A2 Q05940 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL13733897 0.85 ESR1 (0.47) SLC6A2SIGMAR1TAAR1CYP1A2CYP3A4
SCHEMBL6987000 0.85 CNR1 (0.44) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1
SCHEMBL9985184 0.85 CYP19A1 (0.42) EPHX1CYP2D6CYP3A4CYP2C19
SCHEMBL6981682 0.85 CYP19A1 (0.45) SLC6A4SLC6A3EPHX1
SCHEMBL28382111 0.85 ESR1 (0.47) SLC6A2SLC6A3SIGMAR1CYP1A2CYP2D6
SCHEMBL8529164 0.80 MEN1 (0.54) SLC6A4SIGMAR1CYP1A2CYP2D6CYP3A4
SCHEMBL8910215 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3SIGMAR1TAAR1
SCHEMBL1147908 0.76 ACP3 (0.48) SLC6A2SLC6A4SLC6A3SIGMAR1ACP3
SCHEMBL318537 0.76 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1
SCHEMBL1287678 0.76 EPHX1 (0.55) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003384-B Polymer, preparation method and application thereof 东莞东阳光医疗智能器件研发有限公司 2022-02-15 CN claimed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US claimed
CN-1440390-A Substituted diamine derivatives as motilin antagonists ORTHO MCNEIL PHARM INC (US) 2003-09-03 CN claimed
EP-0740660-A1 SUBSTITUTED OXAZOLINES BAYER AG (DE) 1996-11-06 EP claimed
WO-1995019349-A1 SUBSTITUTED OXAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 WO claimed
EP-0662965-A1 1,2-DISUBSTITUTED ETHYL AMIDES AS INHIBITORS OF ACAT SCHERING CORPORATION (US) 1995-07-19 EP claimed
US-5321031-A Treating cardiovascular disorders SCHERING CORPORATION (US) 1994-06-14 US claimed
WO-1994006784-A1 1,2-DISUBSTITUTED ETHYL AMIDES AS INHIBITORS OF ACAT SCHERING CORPORATION (US) 1994-03-31 WO claimed
US-5149709-A Treatment of atherosclerosis SCHERING CORPORATION (US) 1992-09-22 US claimed
US-4939012-A Semiconductor laser sensitive BASF AKTIENGESELLSCHAFT (DE) 1990-07-03 US claimed
US-4830951-A HIGH SENSITIVITY TO SEMICONDUCTOR LASERS BASF AKTIENGESELLSCHAFT (DE) 1989-05-16 US claimed
EP-0230151-A2 Cholecystokinin antagonists BIOMEASURE, INC. (US) 1987-07-29 EP claimed
US-4220649-A VASODILATORS AND HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-09-02 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 SLC6A2 449/4885SLC6A4 586/4885SLC6A3 268/4885
US-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R SLC6A2 1809/4885SLC6A4 1504/4885SLC6A3 1100/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 SLC6A2 4430/4885SLC6A4 4497/4885SLC6A3 4703/4885

“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.