SCHEMBL3858059

SCHEMBL3858059

O=C(C#Cc1ccc(-c2ccc(Cl)cc2)cn1)Nc1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.59
CHRM1 P11229 6/20 0.59
CHEK1 O14757 1/20 0.46
ACHE P22303 1/20 0.46
HTR2A P28223 6/20 0.45
F10 P00742 1/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
OGA O60502 1/20 0.41
ENPP2 Q13822 1/20 0.41
NR3C1 P04150 1/20 0.41
CACNA1G O43497 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL3862535 0.89 MCHR1 (0.74) MCHR1CHRM1ACHEHTR2AHTR2C
SCHEMBL3857997 0.86 MCHR1 (0.78) MCHR1CHRM1HTR2AENPP2CACNA1G
SCHEMBL3857394 0.85 MCHR1 (0.54) MCHR1CHRM1CHEK1ACHEHTR2A
SCHEMBL3869304 0.81 MCHR1 (0.72) MCHR1CHRM1HTR2APDCD1CD274
SCHEMBL3856766 0.77 CHRM1 (0.77) MCHR1CHRM1HTR2ACACNA1GHTR2C
SCHEMBL3865017 0.77 CHRM1 (0.77) MCHR1CHRM1HTR2ACACNA1GHTR2C
SCHEMBL3859239 0.75 MCHR1 (0.98) MCHR1CHRM1HTR2ACACNA1G
SCHEMBL3861798 0.75 MCHR1 (0.79) MCHR1CHRM1HTR2ACACNA1GHTR2C
SCHEMBL3857803 0.75 CHRM1 (0.73) MCHR1CHRM1HTR2ACACNA1GHTR2C
SCHEMBL3866261 0.75 CHRM1 (0.73) MCHR1CHRM1HTR2ACACNA1GHTR2C

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-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MCHR1 1/4885CHRM1 103/4885CHEK1 4640/4885

“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.