SCHEMBL9036581

SCHEMBL9036581

OC1(c2ccc(C(F)(F)F)cc2)CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.46
OPRM1 P35372 4/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
DRD2 P14416 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
CCR1 P32246 2/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
S1PR2 O95136 1/20 0.34
P2RY14 Q15391 1/20 0.34
APP P05067 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL14403245 0.86 DRD2 (0.39) OPRL1OPRM1OPRK1DRD2SLC6A3
SCHEMBL18282707 0.86 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7659846 0.83 MAPT (0.43) OPRL1OPRM1OPRK1DRD2SLC6A3
SCHEMBL15322118 0.81 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL612754 0.81 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL24397813 0.81 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL8466271 0.80 SLC6A4 (0.45) DRD2CCR1SLC6A3SLC6A4SLC6A2
SCHEMBL29588372 0.78 SLC6A3 (0.53) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL24394078 0.78 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL744629 0.77 ALDH1A1 (0.34) OPRL1OPRM1OPRD1OPRK1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP 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 (1 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-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases IDO1, TPH1, IDO2 OPRL1 1016/4885OPRM1 675/4885OPRD1 889/4885

“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.