SCHEMBL4979736

SCHEMBL4979736

O=C(O)C(CO)CN1CCC2(CC1)OCc1ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.58
MCHR1 Q99705 7/20 0.43
ADRA1A P35348 2/20 0.40
AVPR1A P37288 1/20 0.38
KCNH2 Q12809 1/20 0.38
PLD2 O14939 1/20 0.38
PLD1 Q13393 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
Trifluoroacetic Acid SCHEMBL4975961 0.95 OPRL1 (0.54) OPRL1MCHR1ADRA1AAVPR1A
SCHEMBL4977634 0.88 OPRL1 (0.71) OPRL1MCHR1ADRA1A
SCHEMBL4978385 0.88 OPRL1 (0.56) OPRL1MCHR1ADRA1A
SCHEMBL4976160 0.87 OPRL1 (0.56) OPRL1MCHR1ADRA1AAVPR1APLD2
SCHEMBL14370929 0.86 OPRL1 (0.53) OPRL1MCHR1ADRA1A
SCHEMBL14399932 0.86 OPRL1 (0.54) OPRL1MCHR1ADRA1AAVPR1AKCNH2
SCHEMBL4975894 0.86 OPRL1 (0.54) OPRL1MCHR1ADRA1AAVPR1AKCNH2
SCHEMBL4975966 0.85 OPRL1 (0.51) OPRL1MCHR1ADRA1AAVPR1AKCNH2
SCHEMBL4975963 0.85 OPRL1 (0.51) OPRL1MCHR1ADRA1AAVPR1A
Trifluoroacetic Acid SCHEMBL4975845 0.85 OPRL1 (0.53) OPRL1MCHR1ADRA1AAVPR1A

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 2 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-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 1007/4885ADRA1A 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.