SCHEMBL4977673

SCHEMBL4977673

CC(C)(C)NC(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.77
MCHR1 Q99705 4/20 0.38
CCR1 P32246 3/20 0.36
PLD2 O14939 1/20 0.34
PLD1 Q13393 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
Citric Acid SCHEMBL4978227 0.93 OPRL1 (0.69) OPRL1MCHR1CCR1KCNH2
SCHEMBL4980023 0.91 OPRL1 (0.80) OPRL1MCHR1CCR1PLD2PLD1
SCHEMBL4976391 0.90 OPRL1 (0.78) OPRL1MCHR1CCR1PLD2PLD1
SCHEMBL14228401 0.89 OPRL1 (0.77) OPRL1MCHR1CCR1PLD2PLD1
SCHEMBL4977721 0.88 OPRL1 (0.82) OPRL1MCHR1KCNH2
SCHEMBL4977890 0.87 OPRL1 (1.00) OPRL1MCHR1
Trifluoroacetic Acid SCHEMBL4981881 0.85 OPRL1 (0.77) OPRL1MCHR1KCNH2
SCHEMBL4977854 0.85 OPRL1 (0.85) OPRL1MCHR1
SCHEMBL4979860 0.85 OPRL1 (0.81) OPRL1MCHR1
Citric Acid SCHEMBL4981305 0.85 OPRL1 (0.71) OPRL1MCHR1CCR1KCNH2

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-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

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 1/4885MCHR1 1007/4885CCR1 1556/4885

“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.