SCHEMBL4978757

SCHEMBL4978757

CC(C)(C)OC(=O)C(Cc1cscn1)CN1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.44
SIGMAR1 Q99720 14/20 0.42
SLC18A3 Q16572 2/20 0.42
OPRM1 P35372 2/20 0.41
KCNH2 Q12809 1/20 0.41
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4978759 1.00 OPRL1 (0.44) OPRL1SIGMAR1SLC18A3OPRM1KCNH2
SCHEMBL4980127 0.87 SIGMAR1 (0.56) OPRL1SIGMAR1SLC18A3OPRM1KCNH2
SCHEMBL4980128 0.87 SIGMAR1 (0.56) OPRL1SIGMAR1SLC18A3OPRM1KCNH2
SCHEMBL4977485 0.87 OPRL1 (0.51) OPRL1SIGMAR1
SCHEMBL4980075 0.86 OPRL1 (0.43) OPRL1SIGMAR1SLC18A3OPRM1KCNH2
SCHEMBL4977713 0.86 SIGMAR1 (0.47) OPRL1SIGMAR1SLC18A3OPRM1OPRK1
SCHEMBL4977720 0.86 SIGMAR1 (0.47) OPRL1SIGMAR1SLC18A3OPRM1OPRK1
SCHEMBL4974400 0.86 OPRL1 (0.59) OPRL1SIGMAR1SLC18A3OPRM1KCNH2
SCHEMBL4974394 0.86 OPRL1 (0.59) OPRL1SIGMAR1SLC18A3OPRM1KCNH2
SCHEMBL4981569 0.85 OPRL1 (0.50) OPRL1SIGMAR1

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 1/4885SIGMAR1 10/4885SLC18A3 3734/4885
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 1/4885SIGMAR1 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.