SCHEMBL613615

SCHEMBL613615

O=C1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
OPRK1 P41145 3/20 0.45
OPRD1 P41143 2/20 0.45
OPRL1 P41146 2/20 0.45
DRD2 P14416 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
DRD3 P35462 3/20 0.40
DRD4 P21917 2/20 0.40
MEN1 O00255 2/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR1 P32246 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM1 P11229 2/20 0.39

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
Ethylene SCHEMBL6036892 0.96 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL7824744 0.83 OPRM1 (0.53) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL612855 0.82 ESR2 (0.43) DRD2DRD3DRD4MEN1CYP2C9
SCHEMBL15349268 0.80 OPRM1 (0.45) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL613284 0.80 OPRM1 (0.49) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL613957 0.80 DRD2 (0.58) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL743825 0.80 KMT2A (0.39) OPRM1OPRK1OPRL1DRD2DRD3
SCHEMBL8188696 0.79 SLC6A3 (0.40) DRD2MEN1CYP2C9KMT2ACCR1
SCHEMBL9034707 0.79 OPRL1 (0.48) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL613248 0.79 MEN1 (0.63) OPRM1OPRK1OPRD1OPRL1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
EP-2844643-B1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-30 EP disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
EP-3046922-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2016-07-27 EP disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 WO disclosed
EP-2844643-A1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2015-03-11 EP disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
EP-0560669-A1 Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes Bristol-Myers Squibb Company (US) 1993-09-15 EP disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP disclosed
US-4766125-A N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-23 US disclosed
EP-0068544-B1 NOVEL N-ARYL-PIPERAZINEALKANAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1987-06-03 EP disclosed
EP-0035902-B1 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-31 EP disclosed
EP-0068544-A2 Novel N-aryl-piperazinealkanamides JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-05 EP disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US disclosed
EP-0035902-A1 1-(4-Aryl-cyclohexyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-09-16 EP disclosed
US-3965180-A CNS DEPRESSANT THE UPJOHN COMPANY (US) 1976-06-22 US disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 US 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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 OPRM1 1177/4885OPRK1 650/4885OPRD1 639/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP OPRM1 4665/4885OPRK1 4086/4885OPRD1 4038/4885

“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.