SCHEMBL6887165

SCHEMBL6887165

CCN1CCC(C#N)(c2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.45
ADRA1D P25100 5/20 0.41
ADRA1A P35348 5/20 0.41
ADRA1B P35368 5/20 0.41
OPRL1 P41146 2/20 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
SCHEMBL6887168 0.85 ADRA1A (0.51) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL16546671 0.84 OPRM1 (0.43) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL12173616 0.84 ADRA1A (0.51) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL6888519 0.83 ADRA1D (0.53) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL5729940 0.83 OPRM1 (0.52) OPRM1
SCHEMBL29566348 0.83 OPRM1 (0.52) OPRM1
SCHEMBL23660796 0.82 OPRM1 (0.69) OPRM1OPRD1OPRL1
Hydrochloric Acid SCHEMBL3597155 0.81 OPRM1 (0.55) OPRM1
SCHEMBL7662404 0.81 OPRM1 (0.50) OPRM1ADRA1DADRA1AADRA1B
SCHEMBL18324410 0.81 ADRA1D (0.53) OPRM1OPRD1ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
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 (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-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 OPRM1 3/4885OPRD1 5/4885ADRA1D 81/4885
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 OPRM1 16/4885OPRD1 18/4885ADRA1D 60/4885

“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.