SCHEMBL4591934

SCHEMBL4591934

COc1ccc(-c2ccc(C#CCCc3ccc(CN4CCC(O)CC4)cc3)nn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.59
HTR2A P28223 8/20 0.59
CHRM1 P11229 5/20 0.45
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ACHE P22303 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
SCHEMBL4591929 0.81 MCHR1 (0.79) MCHR1HTR2ACHRM1RAB9AMEN1
SCHEMBL4504843 0.77 MCHR1 (0.53) MCHR1HTR2ACHRM1ALDH1A1CYP2D6
SCHEMBL2390775 0.75 MEN1 (0.68) MCHR1HTR2ARAB9AMEN1ALDH1A1
SCHEMBL4591756 0.74 MCHR1 (0.58) MCHR1CHRM1RAB9AMEN1ALDH1A1
SCHEMBL4512760 0.74 MCHR1 (0.57) MCHR1HTR2ACHRM1CYP2D6HRH3
SCHEMBL22488321 0.68 ALDH1A1 (0.57) MCHR1RAB9AMEN1ALDH1A1CYP2D6
SCHEMBL22488317 0.68 ALDH1A1 (0.57) MCHR1RAB9AMEN1ALDH1A1CYP2D6
SCHEMBL13650590 0.68 ALDH1A1 (0.57) MCHR1RAB9AMEN1ALDH1A1CYP2D6
SCHEMBL26100694 0.66 MCHR1 (0.59) MCHR1HTR2ARAB9AMEN1ALDH1A1
SCHEMBL4519598 0.65 MCHR1 (0.56) MCHR1HTR2ACHRM1RAB9ACYP2D6

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 3 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
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.