SCHEMBL4477292

SCHEMBL4477292

C[C@]1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 4/20 0.44
OPRM1 P35372 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM3 P20309 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL2841484 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5DRD2DRD4
SCHEMBL2841486 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5DRD2DRD4
SCHEMBL23229353 0.86 CHRM2 (0.51) CHRM2CHRM4CHRM5DRD2DRD4
SCHEMBL12219688 0.86 CHRM2 (0.45) CHRM2CHRM4CHRM5OPRK1ALDH1A1
SCHEMBL21462353 0.86 CHRM2 (0.45) CHRM2CHRM4CHRM5OPRK1ALDH1A1
SCHEMBL23405650 0.86 CHRM2 (0.45) CHRM2CHRM4CHRM5OPRK1ALDH1A1
SCHEMBL23405649 0.86 CHRM2 (0.45) CHRM2CHRM4CHRM5OPRK1ALDH1A1
SCHEMBL3923372 0.84 CHRM2 (0.46) CHRM2CHRM4CHRM5DRD2DRD4
SCHEMBL4479687 0.84 CHRM2 (0.46) CHRM2CHRM4CHRM5DRD2DRD4
SCHEMBL4479682 0.84 CHRM2 (0.46) CHRM2CHRM4CHRM5DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CHRM2 59/4885CHRM4 58/4885CHRM5 65/4885

“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.