SCHEMBL4976397

SCHEMBL4976397

CC1OC2(CCN(CC(Cc3ccccn3)C(=O)O)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.41
▸ OPRM1 P35372 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ EBP Q15125 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ PTPRA P18433 1/20 0.38

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
SCHEMBL4976390 1.00 SIGMAR1 (0.41) SIGMAR1OPRM1KCNH2ADRA2AOPRD1
SCHEMBL4977462 0.91 OPRL1 (0.44) SIGMAR1OPRD1
SCHEMBL4977466 0.91 OPRL1 (0.44) SIGMAR1OPRD1
SCHEMBL4977545 0.89 SIGMAR1 (0.47) SIGMAR1KCNH2OPRD1
SCHEMBL4977543 0.89 SIGMAR1 (0.47) SIGMAR1KCNH2OPRD1
SCHEMBL4981835 0.86 OPRL1 (0.49) SIGMAR1OPRM1ADRA2AOPRD1OPRK1
Citric Acid SCHEMBL4981096 0.85 OPRL1 (0.40) SIGMAR1OPRD1
Citric Acid SCHEMBL4981102 0.85 OPRL1 (0.40) SIGMAR1OPRD1
Trifluoroacetic Acid SCHEMBL4977787 0.82 OPRL1 (0.48) SIGMAR1OPRM1ADRA2AOPRD1OPRK1
SCHEMBL4979660 0.82 PTPRA (0.40) SIGMAR1OPRM1OPRD1OPRK1PTPRA

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-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-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 SIGMAR1 10/4885OPRM1 7/4885KCNH2 1690/4885
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 SIGMAR1 26/4885OPRM1 5/4885KCNH2 25/4885

“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.

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