SCHEMBL6888052

SCHEMBL6888052

CCN1CCC(C#N)(c2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
OPRD1 P41143 1/20 0.49
HSD11B1 P28845 1/20 0.47
OPRL1 P41146 1/20 0.43

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
SCHEMBL13778137 0.84 OPRM1 (0.50) OPRM1OPRD1OPRL1
SCHEMBL6891511 0.84 OPRM1 (0.69) OPRM1OPRD1OPRL1
SCHEMBL4657165 0.82 OPRM1 (0.71) OPRM1
SCHEMBL8003190 0.82 OPRM1 (0.49) OPRM1OPRD1OPRL1
SCHEMBL16549536 0.81 OPRM1 (0.50) OPRM1OPRD1OPRL1
SCHEMBL6384515 0.81 OPRM1 (0.47) OPRM1OPRD1OPRL1
SCHEMBL7662448 0.80 OPRM1 (0.53) OPRM1
SCHEMBL373586 0.80 OPRM1 (0.81) OPRM1OPRD1OPRL1
SCHEMBL4201312 0.79 OPRM1 (0.46) OPRM1HSD11B1
Hydrochloric Acid SCHEMBL7668015 0.79 OPRM1 (0.52) OPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
WO-2011062853-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-26 WO 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-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 OPRM1 16/4885OPRD1 18/4885HSD11B1 2265/4885

“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.