SCHEMBL4979818

SCHEMBL4979818

CN(CCO)C(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.67
HRH3 Q9Y5N1 1/20 0.45
ADRA1A P35348 8/20 0.45
MCHR1 Q99705 8/20 0.45

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
SCHEMBL4975767 0.95 OPRL1 (0.65) OPRL1HRH3ADRA1AMCHR1
Citric Acid SCHEMBL4976313 0.92 OPRL1 (0.60) OPRL1HRH3ADRA1AMCHR1
SCHEMBL4976223 0.91 OPRL1 (0.64) OPRL1HRH3ADRA1AMCHR1
SCHEMBL4976354 0.91 OPRL1 (0.80) OPRL1HRH3ADRA1AMCHR1
SCHEMBL4977644 0.90 OPRL1 (0.63) OPRL1HRH3ADRA1AMCHR1
SCHEMBL4976059 0.90 OPRL1 (0.84) OPRL1ADRA1AMCHR1
SCHEMBL4978356 0.89 OPRL1 (0.65) OPRL1HRH3ADRA1AMCHR1
Citric Acid SCHEMBL4975744 0.88 OPRL1 (0.58) OPRL1HRH3ADRA1AMCHR1
SCHEMBL4976662 0.86 OPRL1 (0.65) OPRL1
SCHEMBL4978036 0.85 OPRL1 (0.81) OPRL1ADRA1AMCHR1

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 1/4885HRH3 229/4885ADRA1A 121/4885

“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.