SCHEMBL4979544

SCHEMBL4979544

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.40
S1PR5 Q9H228 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
AVPR1A P37288 2/20 0.38
ADRA1A P35348 1/20 0.37
MCHR1 Q99705 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
SCHEMBL4974442 0.92 ADRA1A (0.41) OPRL1AVPR1AADRA1AMCHR1
Trifluoroacetic Acid SCHEMBL4979538 0.86 OPRL1 (0.43) OPRL1S1PR5SIGMAR1AVPR1AADRA1A
SCHEMBL4981670 0.85 OPRL1 (0.44) OPRL1S1PR5SIGMAR1ADRA1AMCHR1
SCHEMBL4981665 0.85 OPRL1 (0.44) OPRL1S1PR5SIGMAR1ADRA1AMCHR1
SCHEMBL4979547 0.83 OPRL1 (0.38) OPRL1S1PR5SIGMAR1AVPR1A
Trifluoroacetic Acid SCHEMBL4979925 0.80 OPRL1 (0.47) OPRL1SIGMAR1AVPR1AADRA1AMCHR1
Trifluoroacetic Acid SCHEMBL4978133 0.79 OPRL1 (0.49) OPRL1AVPR1A
Trifluoroacetic Acid SCHEMBL4978138 0.79 OPRL1 (0.49) OPRL1AVPR1A
Trifluoroacetic Acid SCHEMBL4974492 0.79 OPRL1 (0.45) OPRL1AVPR1AADRA1AMCHR1
Trifluoroacetic Acid SCHEMBL4974506 0.79 OPRL1 (0.45) OPRL1AVPR1AADRA1AMCHR1

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 3 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

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-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 1/4885S1PR5 1125/4885SIGMAR1 26/4885

“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.