SCHEMBL4978116

SCHEMBL4978116

CN1CC2(CCN(CC(Cc3cc(O)ccc3Cl)C(=O)O)CC2)c2cc(F)cc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRL1 P41146 10/20 0.33
DRD2 P14416 1/20 0.33
P2RY1 P47900 2/20 0.32
FFAR1 O14842 1/20 0.32
S1PR5 Q9H228 3/20 0.32
S1PR1 P21453 2/20 0.32
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4978119 1.00 OPRM1 (0.35) OPRM1OPRD1OPRL1DRD2P2RY1
SCHEMBL4980072 0.91 OPRL1 (0.43) OPRL1P2RY1SLC18A3SIGMAR1
SCHEMBL4980064 0.91 OPRL1 (0.43) OPRL1P2RY1SLC18A3SIGMAR1
SCHEMBL14370927 0.87 SLC18A3 (0.40) OPRM1OPRD1OPRL1P2RY1FFAR1
SCHEMBL14370926 0.80 SLC18A3 (0.41) OPRM1OPRD1OPRL1FFAR1SLC18A3
SCHEMBL4977660 0.79 OPRL1 (0.44) OPRL1SLC18A3SIGMAR1
SCHEMBL4977662 0.79 OPRL1 (0.44) OPRL1SLC18A3SIGMAR1
SCHEMBL4979878 0.78 OPRL1 (0.49) OPRM1OPRD1OPRL1
SCHEMBL4979883 0.78 OPRL1 (0.49) OPRM1OPRD1OPRL1
SCHEMBL4977635 0.77 P2RY1 (0.33) OPRL1P2RY1S1PR5S1PR1

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 6 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-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-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 OPRM1 7/4885OPRD1 4/4885OPRL1 1/4885
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 OPRM1 5/4885OPRD1 2/4885OPRL1 1/4885

“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.