SCHEMBL5114893

SCHEMBL5114893

CC(=O)N(c1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cn1)C(C)C1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.40
CHRM1 P11229 4/20 0.39
HTR2A P28223 3/20 0.39
CYP2D6 P10635 1/20 0.37
ACACB O00763 5/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL5114884 0.79 MCHR1 (0.43) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL5198628 0.71 MCHR1 (0.48) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL2324867 0.70 MCHR1 (0.59) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4493107 0.69 MCHR1 (0.51) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL4493104 0.65 MCHR1 (0.58) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4529404 0.65 MCHR1 (0.51) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL2322150 0.64 MCHR1 (0.64) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4483261 0.64 MCHR1 (0.45) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL6364847 0.63 MCHR1 (0.44) MCHR1CHRM1HTR2ACYP2D6ACACB
SCHEMBL6364854 0.63 MCHR1 (0.44) MCHR1CHRM1HTR2ACYP2D6ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 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-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R MCHR1 1/4885CHRM1 62/4885HTR2A 127/4885

“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.