SCHEMBL6887168

SCHEMBL6887168

CCN1CCC(C#N)(c2ccccc2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.51
ADRA1D P25100 9/20 0.51
ADRA1B P35368 9/20 0.51
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL6887165 0.85 OPRM1 (0.46) ADRA1AADRA1DADRA1BOPRM1OPRD1
SCHEMBL6248119 0.84 OPRM1 (0.68) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL16546670 0.84 ADRA1A (0.50) ADRA1AADRA1DADRA1BOPRM1OPRD1
SCHEMBL12173616 0.84 ADRA1A (0.51) ADRA1AADRA1DADRA1BOPRM1OPRD1
SCHEMBL7967745 0.82 ADRA1A (0.57) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL10528035 0.82 ADRA1A (0.43) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL31459412 0.82 ADRA1A (0.43) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL18324410 0.81 ADRA1D (0.53) ADRA1AADRA1DADRA1BOPRM1OPRD1
SCHEMBL12173619 0.81 OPRL1 (0.45) ADRA1AADRA1DADRA1BOPRM1OPRD1
Hydrochloric Acid SCHEMBL7965301 0.81 ADRA1A (0.56) ADRA1AADRA1DADRA1BOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501231-B1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-21 EP disclosed
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 ADRA1A 109/4885ADRA1D 81/4885ADRA1B 162/4885
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 ADRA1A 62/4885ADRA1D 60/4885ADRA1B 97/4885

“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.