SCHEMBL498014

SCHEMBL498014

CC1(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
OPRL1 P41146 2/20 0.50
OPRK1 P41145 1/20 0.50
PNMT P11086 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
DRD4 P21917 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PAX8 Q06710 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 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
Ammonia Solution, Strong SCHEMBL9556021 0.97 OPRM1 (0.48) OPRM1OPRL1OPRK1PNMTMAOA
SCHEMBL43078 0.89 DPP4 (0.46) OPRM1OPRL1OPRK1
SCHEMBL353050 0.89 OPRL1 (0.46) OPRM1OPRL1OPRK1
Acetic Acid SCHEMBL7971198 0.88 OPRM1 (0.48) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL19382448 0.87 SLC6A4 (0.48) OPRM1
Ammonia Solution, Strong SCHEMBL20553594 0.87 DPP4 (0.45) OPRM1OPRL1OPRK1
Hydrogen Peroxide SCHEMBL9938277 0.87 AKR1C1 (0.50) OPRM1OPRL1OPRK1
SCHEMBL2387990 0.87 SLC6A4 (0.48) OPRM1
SCHEMBL27445717 0.85 OPRM1 (0.43) OPRM1OPRL1OPRK1PNMTMAOA
SCHEMBL1366868 0.83 OPRL1 (0.41) OPRM1OPRL1OPRK1PNMTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068517-A1 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 WO claimed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP claimed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US claimed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US claimed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US claimed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP claimed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP claimed
CN-100455561-C Compound of 1-phenyl-1-methylcyclopropane and application thereof SHENYANG RES INST CHEMICAL IND (CN) 2009-01-28 CN claimed
CN-1927826-A Compound of 1-phenyl-1-methylcyclopropane and application thereof SHENYANG RES INST CHEMICAL IND (CN) 2007-03-14 CN claimed
EP-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 EP claimed
EP-1181279-A4 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INST (US) 2002-09-25 EP claimed
US-6441172-B1 DI- AND TRI-SUBSTITUTED-1,4-DIAZACYCLIC COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2002-08-27 US claimed
EP-1181279-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-02-27 EP claimed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US claimed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO claimed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 EP claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
EP-0010401-B1 NOVEL (1-SUBSTITUTED) CYCLOALKYLMETHYL-ISOTHIOCYANATES, A PROCESS FOR THEIR PREPARATION, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PESTICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-05-05 EP claimed
US-4107326-A ANTIHYPERTENSIVE AGENTS, DIURETICS AMERICAN CYANAMID COMPANY (US) 1978-08-15 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 (2 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT OPRM1 4624/4885OPRL1 4834/4885OPRK1 4110/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI OPRM1 4298/4885OPRL1 4679/4885OPRK1 2748/4885

“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.