SCHEMBL3870604

SCHEMBL3870604

COc1ccc(-c2ccc(NC(=O)CCc3ccc(CN4CCCC4)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.73
CHRM1 P11229 2/20 0.73
HTR2A P28223 2/20 0.73
MAPT P10636 4/20 0.63
ALDH1A1 P00352 1/20 0.63
ALOX15 P16050 1/20 0.63
RAB9A P51151 2/20 0.59
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.54
HIF1A Q16665 1/20 0.54
EPAS1 Q99814 1/20 0.54
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL3861539 0.86 MCHR1 (0.98) MCHR1CHRM1HTR2AALDH1A1KDM4E
SCHEMBL3879260 0.86 MCHR1 (0.98) MCHR1CHRM1HTR2AALDH1A1KDM4E
SCHEMBL4009683 0.85 MCHR1 (1.00) MCHR1CHRM1HTR2AALDH1A1KDM4E
SCHEMBL3863288 0.81 TNIK (0.73) MCHR1CHRM1HTR2AMAPTALDH1A1
SCHEMBL3872362 0.81 TNIK (0.73) MCHR1CHRM1HTR2AMAPTALDH1A1
SCHEMBL3859161 0.80 MCHR1 (0.67) MCHR1CHRM1HTR2AALDH1A1RAB9A
SCHEMBL3866362 0.79 CHRM1 (0.75) MCHR1CHRM1HTR2AMAPTALDH1A1
SCHEMBL3866355 0.79 CHRM1 (0.75) MCHR1CHRM1HTR2AMAPTALDH1A1
SCHEMBL16560992 0.79 KMT2A (0.74) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL28248353 0.79 KMT2A (0.80) MCHR1MAPTALDH1A1ALOX15RAB9A

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 103/4885HTR2A 565/4885

“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.