SCHEMBL3387476

SCHEMBL3387476

O=C(O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.61
OPRL1 P41146 9/20 0.60
OPRD1 P41143 9/20 0.59
OPRK1 P41145 9/20 0.59
HTR1A P08908 8/20 0.56
DRD2 P14416 8/20 0.56
DRD4 P21917 8/20 0.56
HTR2A P28223 8/20 0.56
HTR2C P28335 8/20 0.56
HTR7 P34969 8/20 0.56
HTR1D P28221 7/20 0.56
DRD3 P35462 7/20 0.56
HTR2B P41595 7/20 0.56
HRH2 P25021 6/20 0.56
DRD1 P21728 6/20 0.56
DRD5 P21918 6/20 0.56
SLC6A2 P23975 6/20 0.56
SLC6A4 P31645 6/20 0.56
HTR6 P50406 6/20 0.56
SLC6A3 Q01959 6/20 0.56

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
SCHEMBL5371488 0.87 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL4815302 0.86 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL3860368 0.85 OPRL1 (0.46) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL5378396 0.85 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL14282297 0.85 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL3851628 0.84 OPRM1 (0.45) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL14282236 0.84 OPRM1 (0.57) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL14282237 0.84 S1PR2 (0.58) OPRM1OPRL1OPRD1OPRK1SLC6A3
SCHEMBL14282289 0.84 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL2273617 0.84 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP claimed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US claimed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP claimed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
EP-1765779-B1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-7579474-B2 Substituted piperidines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH AB, SVERIGE (DK) 2009-08-25 US disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US disclosed
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-11-22 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP disclosed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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 (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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 OPRM1 3770/4885OPRL1 3885/4885OPRD1 3666/4885
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT OPRM1 72/4885OPRL1 30/4885OPRD1 80/4885
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, PRLHR, DRD3 OPRM1 35/4885OPRL1 9/4885OPRD1 7/4885

“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.