SCHEMBL4477825

SCHEMBL4477825

COC(=O)c1cc2cc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MCHR1 Q99705 13/20 0.43
CHRM1 P11229 4/20 0.42
HTR2A P28223 3/20 0.42
CYP2D6 P10635 1/20 0.42
ACACB O00763 2/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4480961 0.90 MCHR1 (0.42) CCNCCDK8MCHR1CHRM1HTR2A
SCHEMBL5198072 0.85 ACACB (0.43) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL5151679 0.82 MCHR1 (0.43) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL15697495 0.79 F9 (0.51) CCNCCDK8CLK1CLK2CLK4
SCHEMBL4481571 0.78 MCHR1 (0.45) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL4480448 0.77 MCHR1 (0.45) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4476323 0.74 MCHR1 (0.47) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4614384 0.74 MEN1 (0.55) CCNCCDK8CLK1CLK2CLK4
SCHEMBL4464940 0.72 MCHR1 (0.59) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3499141 0.72 HDAC1 (0.51) CCNCCDK8MAPTKDM4EALDH1A1

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 3 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
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 US 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 (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-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, GPR119 CCNC 3236/4885CDK8 4718/4885MCHR1 1/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CCNC 4081/4885CDK8 4135/4885MCHR1 1/4885

“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.