SCHEMBL4977663

SCHEMBL4977663

CN1C(=O)C2(CCN(CC(Cc3cscn3)C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.53
OPRM1 P35372 5/20 0.45
OPRK1 P41145 5/20 0.45
OPRD1 P41143 2/20 0.35
SCN9A Q15858 1/20 0.34
IP6K1 Q92551 1/20 0.33
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
CNR2 P34972 1/20 0.32
TACR1 P25103 5/20 0.32
TACR3 P29371 5/20 0.32
DDR1 Q08345 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
SCHEMBL4982794 1.00 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1SCN9A
SCHEMBL4981288 0.89 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4979641 0.89 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4979646 0.89 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4977463 0.88 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4977458 0.88 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1IP6K1
Trifluoroacetic Acid SCHEMBL4981278 0.87 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1IP6K1
Trifluoroacetic Acid SCHEMBL4981283 0.87 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4978056 0.86 OPRL1 (0.54) OPRL1SCN9ABACE1BACE2CNR2
SCHEMBL4978050 0.86 OPRL1 (0.54) OPRL1SCN9ABACE1BACE2CNR2

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 1/4885OPRM1 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.