SCHEMBL4484154

SCHEMBL4484154

OC1(C(F)(F)F)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.61
POLB P06746 3/20 0.59
CYP3A4 P08684 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CCR3 P51677 1/20 0.55
SIGMAR1 Q99720 3/20 0.55
GAA P10253 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
CYP2D6 P10635 1/20 0.50
USP2 O75604 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL28650220 0.90 OPRL1 (0.54) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL28303768 0.90 OPRL1 (0.54) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL4591596 0.84 CCR5 (0.59) OPRL1POLBGAAALDH1A1KDM4E
SCHEMBL16345324 0.83 MEN1 (0.49) OPRL1POLBCCR3SIGMAR1GAA
SCHEMBL16973869 0.82 OPRL1 (0.59) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL28548988 0.80 OPRL1 (0.71) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL15062024 0.78 ACHE (0.55) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL11375646 0.78 OPRL1 (0.59) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL4592802 0.78 KMT2A (0.53) OPRL1ALDH1A1MEN1KMT2AATM
SCHEMBL8804780 0.77 OPRL1 (0.67) OPRL1POLBCYP3A4HSD17B10CCR3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-100345833-C Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2007-10-31 CN disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
CN-1255382-C Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2006-05-10 CN disclosed
CN-1765890-A Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2006-05-03 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
CN-1144784-C Diphenyl alkyl-tetrahydropyridines, process for their preparation, and pharmaceutical compositions containing them ��ŵ�Ѻϳ�ʵ���� 2004-04-07 CN disclosed
US-6608078-B2 Gramnegative bacteria WOCKHARDT LIMITED (IN) 2003-08-19 US disclosed
CN-1420869-A Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2003-05-28 CN disclosed
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment WOCKHARDT RESEARCH CENTER 2002-11-07 US disclosed
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 WO disclosed
CN-1240428-A Diphenylalkyl-tetrahydropyridines, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 2000-01-05 CN 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 (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-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment ALPI, POLR1C, POLI OPRL1 1245/4885POLB 124/4885CYP3A4 208/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 OPRL1 15/4885POLB 4765/4885CYP3A4 3608/4885

“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.