SCHEMBL4976236

SCHEMBL4976236

CN1C(=O)C2(CCN(CC(Cc3ccccn3)C(=O)O)CC2)c2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.49
OPRM1 P35372 6/20 0.49
OPRK1 P41145 4/20 0.49
EGLN1 Q9GZT9 7/20 0.42
OPRD1 P41143 1/20 0.38
IP6K1 Q92551 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
PRCP P42785 1/20 0.35
PTPRA P18433 1/20 0.35
PKM P14618 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4976231 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1EGLN1OPRD1
SCHEMBL4976289 0.92 OPRL1 (0.49) OPRL1OPRM1OPRK1EGLN1OPRD1
SCHEMBL4976291 0.92 OPRL1 (0.49) OPRL1OPRM1OPRK1EGLN1OPRD1
SCHEMBL4976312 0.90 OPRM1 (0.47) OPRL1OPRM1OPRK1EGLN1OPRD1
SCHEMBL4976315 0.90 OPRM1 (0.47) OPRL1OPRM1OPRK1EGLN1OPRD1
SCHEMBL4977494 0.87 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1IP6K1
SCHEMBL4977491 0.87 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1IP6K1
Citric Acid SCHEMBL4979893 0.87 OPRL1 (0.44) OPRL1OPRM1OPRK1EGLN1PRCP
Citric Acid SCHEMBL4979890 0.87 OPRL1 (0.44) OPRL1OPRM1OPRK1EGLN1PRCP
SCHEMBL4979646 0.85 OPRL1 (0.57) OPRL1OPRM1OPRK1EGLN1OPRD1

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.