SCHEMBL3866355

SCHEMBL3866355

COc1ccc(-c2ccc(NC(=O)/C=C/c3ccc(CN4CCCC4)cc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.75
HTR2A P28223 1/20 0.75
MCHR1 Q99705 1/20 0.75
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 3/20 0.61
TP53 P04637 3/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
RAB9A P51151 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61

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
SCHEMBL3866362 1.00 CHRM1 (0.75) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL5209543 0.89 CHRM1 (0.63) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL5206946 0.89 CHRM1 (0.63) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL3875571 0.87 CHRM1 (0.98) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL3859336 0.87 CHRM1 (0.98) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL3859330 0.87 CHRM1 (0.98) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL3866496 0.87 CHRM1 (0.98) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL3875567 0.87 CHRM1 (0.98) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL3866507 0.86 CHRM1 (1.00) CHRM1HTR2AMCHR1MAPTSMN1; SMN2
SCHEMBL3866512 0.86 CHRM1 (1.00) CHRM1HTR2AMCHR1MAPTSMN1; SMN2

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 CHRM1 103/4885HTR2A 565/4885MCHR1 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.