SCHEMBL4975995

SCHEMBL4975995

O=C(O)C(Cc1cc(O)ccc1Cl)CN1CCC2(CC1)CC(CO)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HSD11B1 P28845 2/20 0.36
HSD11B2 P80365 1/20 0.36
OPRL1 P41146 10/20 0.34
CCR5 P51681 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
MCHR2 Q969V1 1/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 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
SCHEMBL4976001 1.00 OPRM1 (0.39) OPRM1OPRD1HSD11B1HSD11B2OPRL1
SCHEMBL4974524 0.90 OPRL1 (0.45) OPRD1OPRL1CCR5DRD2SLC6A4
SCHEMBL4974532 0.90 OPRL1 (0.45) OPRD1OPRL1CCR5DRD2SLC6A4
SCHEMBL4981512 0.89 CCR5 (0.42) OPRM1OPRD1OPRL1CCR5SIGMAR1
SCHEMBL4981509 0.89 CCR5 (0.42) OPRM1OPRD1OPRL1CCR5SIGMAR1
Citric Acid SCHEMBL4979559 0.85 OPRL1 (0.40) OPRD1HSD11B1HSD11B2OPRL1CCR5
Citric Acid SCHEMBL4979566 0.85 OPRL1 (0.40) OPRD1HSD11B1HSD11B2OPRL1CCR5
SCHEMBL4978387 0.82 SIGMAR1 (0.54) OPRM1OPRD1OPRL1SIGMAR1
SCHEMBL4978390 0.82 SIGMAR1 (0.54) OPRM1OPRD1OPRL1SIGMAR1
SCHEMBL4982605 0.79 OPRL1 (0.44) OPRD1OPRL1CCR5DRD2SLC6A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US claimed
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 claimed
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
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP 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
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO 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 4/4885HSD11B1 672/4885
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 2/4885HSD11B1 1653/4885

“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.