SCHEMBL4466683

SCHEMBL4466683

OC1(C(F)(F)F)CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 2/20 0.47
CHRM2 P08172 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
OPRK1 P41145 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KCNH2 Q12809 4/20 0.42
OPRM1 P35372 2/20 0.42
SLC6A2 P23975 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM3 P20309 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL4487545 1.00 DRD2 (0.47) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL4484205 1.00 DRD2 (0.47) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL3923372 0.88 CHRM2 (0.46) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL2841486 0.81 CHRM2 (0.49) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL4477292 0.81 CHRM2 (0.49) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL2841484 0.81 CHRM2 (0.49) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL11545113 0.79 CHRM2 (0.47) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL1513400 0.79 DRD2 (0.62) DRD2DRD4DRD3OPRK1ALDH1A1
SCHEMBL11545110 0.79 CHRM2 (0.47) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL7290091 0.78 CHRM2 (0.46) DRD2DRD4DRD3CHRM2CHRM4

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 DRD2 304/4885DRD4 558/4885DRD3 457/4885

“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.