SCHEMBL4975874

SCHEMBL4975874

O=C(OC(=O)C(F)(F)F)C(Cc1cc([N+](=O)[O-])ccc1Cl)CN1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.39
KCNH2 Q12809 2/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4979625 0.92 ADRA1A (0.39) OPRL1
Trifluoroacetic Acid SCHEMBL4975866 0.89 OPRL1 (0.41) OPRL1SIGMAR1
Trifluoroacetic Acid SCHEMBL4975860 0.89 OPRL1 (0.41) OPRL1SIGMAR1
SCHEMBL4974516 0.89 OPRL1 (0.43) OPRL1SIGMAR1
SCHEMBL4982170 0.88 OPRL1 (0.39) OPRL1KCNH2OPRM1
SCHEMBL4982165 0.88 OPRL1 (0.39) OPRL1KCNH2OPRM1
SCHEMBL4978144 0.88 OPRL1 (0.47) OPRL1KCNH2OPRM1SIGMAR1
SCHEMBL4978145 0.87 OPRL1 (0.42) OPRL1KCNH2OPRM1SIGMAR1
SCHEMBL4978139 0.87 OPRL1 (0.42) OPRL1KCNH2OPRM1SIGMAR1
SCHEMBL4977937 0.84 AVPR1A (0.38) OPRL1KCNH2OPRM1

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 2 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-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 1/4885KCNH2 25/4885OPRM1 5/4885

“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.