SCHEMBL4975895

SCHEMBL4975895

CCOC(=O)C(Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1F)CN1CCC2(CC1)C(=O)N(C)c1ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.43
OPRM1 P35372 5/20 0.43
OPRK1 P41145 4/20 0.43
OPRD1 P41143 1/20 0.35
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
DPP9 Q86TI2 2/20 0.33
IP6K1 Q92551 1/20 0.33
TACR1 P25103 7/20 0.33
TACR3 P29371 7/20 0.33
CTSC P53634 1/20 0.32
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL4975888 1.00 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1DPP4
SCHEMBL4976410 0.93 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4976408 0.93 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4976432 0.92 OPRL1 (0.39) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4976435 0.92 OPRL1 (0.39) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4976493 0.84 OPRL1 (0.49) OPRL1
SCHEMBL4976488 0.84 OPRL1 (0.49) OPRL1
SCHEMBL5410979 0.83 OPRL1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL5410985 0.83 OPRL1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL4977638 0.81 SLC18A3 (0.35) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 OPRL1 1/4885OPRM1 7/4885OPRK1 6/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 OPRL1 1/4885OPRM1 5/4885OPRK1 3/4885

“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.