SCHEMBL6889969

SCHEMBL6889969

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

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
GRM2 Q14416 2/20 0.53
DRD4 P21917 1/20 0.53
HTR2C P28335 2/20 0.53
P2RY14 Q15391 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A5 Q9Y345 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
SCHEMBL25004303 0.92 DRD2 (0.49) DRD2GRM2DRD4HTR2CP2RY14
SCHEMBL13179269 0.85 DRD2 (0.50) DRD2
SCHEMBL28279156 0.84 DRD2 (0.59) DRD2GRM2DRD4P2RY14SLC6A5
SCHEMBL1821857 0.81 DRD2 (0.52) DRD2GRM2DRD4
SCHEMBL6991321 0.81 DRD2 (0.53) DRD2
SCHEMBL6884365 0.81 HTR2C (0.58) DRD2GRM2DRD4HTR2CP2RY14
SCHEMBL19538689 0.80 TSHR (0.60) DRD2GRM2DRD4
SCHEMBL81641 0.79 DRD2 (0.54) DRD2DRD4
SCHEMBL6827382 0.78 DRD2 (0.49) DRD2GRM2DRD4HTR2C
SCHEMBL15800196 0.78 DRD2 (0.50) DRD2

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 DRD2 278/4885GRM2 95/4885DRD4 524/4885

“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.