SCHEMBL4979547

SCHEMBL4979547

O=C(OC(=O)C(F)(F)F)C(Cc1c(Cl)ccc(O)c1F)CN1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
AVPR1A P37288 3/20 0.38
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL4974449 0.92 ADRA1A (0.40) OPRL1SIGMAR1AVPR1A
SCHEMBL4975143 0.88 AVPR1A (0.39) OPRL1SIGMAR1AVPR1AS1PR5
SCHEMBL4975141 0.88 AVPR1A (0.39) OPRL1SIGMAR1AVPR1AS1PR5
Trifluoroacetic Acid SCHEMBL4979538 0.88 OPRL1 (0.43) OPRL1SIGMAR1AVPR1AS1PR5
SCHEMBL4981670 0.87 OPRL1 (0.44) OPRL1SIGMAR1S1PR5
SCHEMBL4981665 0.87 OPRL1 (0.44) OPRL1SIGMAR1S1PR5
SCHEMBL4979929 0.86 OPRL1 (0.42) OPRL1SIGMAR1AVPR1A
SCHEMBL4978144 0.85 OPRL1 (0.47) OPRL1SIGMAR1
SCHEMBL4974516 0.85 OPRL1 (0.43) OPRL1SIGMAR1
SCHEMBL4976515 0.84 OPRL1 (0.53) OPRL1AVPR1A

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 1/4885SIGMAR1 10/4885AVPR1A 609/4885
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 1/4885SIGMAR1 26/4885AVPR1A 476/4885

“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.