SCHEMBL3866497

SCHEMBL3866497

O=C(C#Cc1ccc(CO)cc1)NCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
CHRM1 P11229 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PYGL P06737 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
NHERF1 O14745 2/20 0.41
ADAMTS4 O75173 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2A P28223 1/20 0.39
ACACB O00763 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3863299 0.83 MCHR1 (0.74) MCHR1CHRM1ALDH1A1HTR2AACACB
SCHEMBL3861763 0.82 MCHR1 (0.76) MCHR1CHRM1ALDH1A1HTR2A
SCHEMBL3860703 0.81 CHRM1 (0.43) MCHR1CHRM1MEN1KMT2ACYP2C9
SCHEMBL3859584 0.78 MCHR1 (0.59) MCHR1CHRM1SMN1; SMN2HTR2A
SCHEMBL3859037 0.74 CHRM1 (0.70) MCHR1CHRM1MEN1KMT2ASMN1; SMN2
SCHEMBL3866501 0.74 CHRM1 (0.41) MCHR1CHRM1ALDH1A1RAB9AHTR2A
SCHEMBL3856301 0.73 ACACB (0.53) MCHR1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL3994114 0.72 MAOB (0.52) MEN1KMT2A
SCHEMBL28350981 0.71 NPC1 (0.49) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL3859177 0.71 MCHR1 (0.53) MCHR1CHRM1MEN1KMT2APYGL

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-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 103/4885MEN1 807/4885

“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.