SCHEMBL4979725

SCHEMBL4979725

CN(CCO)C(=O)C(Cc1cscn1)CN1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.49
SIGMAR1 Q99720 12/20 0.42
SLC18A3 Q16572 2/20 0.42
OPRM1 P35372 3/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ADRA1A P35348 2/20 0.38
MCHR1 Q99705 2/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL4979728 1.00 OPRL1 (0.49) OPRL1SIGMAR1SLC18A3OPRM1OPRD1
Citric Acid SCHEMBL4978107 0.92 OPRL1 (0.45) OPRL1SIGMAR1SLC18A3OPRM1OPRD1
Citric Acid SCHEMBL4978098 0.92 OPRL1 (0.45) OPRL1SIGMAR1SLC18A3OPRM1OPRD1
SCHEMBL4974400 0.90 OPRL1 (0.59) OPRL1SIGMAR1SLC18A3OPRM1OPRK1
SCHEMBL4974394 0.90 OPRL1 (0.59) OPRL1SIGMAR1SLC18A3OPRM1OPRK1
SCHEMBL4977713 0.86 SIGMAR1 (0.47) OPRL1SIGMAR1SLC18A3OPRM1OPRK1
SCHEMBL4977720 0.86 SIGMAR1 (0.47) OPRL1SIGMAR1SLC18A3OPRM1OPRK1
SCHEMBL4979818 0.85 OPRL1 (0.67) OPRL1ADRA1AMCHR1
Citric Acid SCHEMBL4977910 0.83 OPRL1 (0.52) OPRL1SIGMAR1SLC18A3OPRM1OPRD1
Citric Acid SCHEMBL4977905 0.83 OPRL1 (0.52) OPRL1SIGMAR1SLC18A3OPRM1OPRD1

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-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
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
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-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 1/4885SIGMAR1 26/4885SLC18A3 2071/4885

“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.