SCHEMBL4591645

SCHEMBL4591645

COc1ccc(-c2ccc(CCC=O)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.48
HTR2A P28223 4/20 0.48
CHRM1 P11229 3/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.39
MITF O75030 1/20 0.39
MAOB P27338 1/20 0.39
AGTR1 P30556 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL13680815 0.78 PDE10A (0.46) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL17826982 0.78 MAPT (0.56) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL4592220 0.78 MCHR1 (0.55) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL4591650 0.74 MCHR1 (0.69) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL13680822 0.73 CYP3A4 (0.38) MCHR1MAPTNPC1RAB9AALDH1A1
SCHEMBL24197395 0.73 MAOB (0.59) SMN1; SMN2ALDH1A1MAOBTP53
SCHEMBL4591569 0.72 MCHR1 (0.47) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL13680929 0.71 ALDH1A1 (0.62) MAPTSMN1; SMN2RAB9AKDM4ELMNA
SCHEMBL5431764 0.71 MCHR1 (0.55) MCHR1HTR2ACHRM1MAPTSMN1; SMN2
SCHEMBL9629460 0.70 MAPT (0.59) MCHR1HTR2ACHRM1MAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885HTR2A 66/4885CHRM1 84/4885

“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.