SCHEMBL4591565

SCHEMBL4591565

COc1ccc(-c2ccc(CCCNc3ccc(CN4CCC(C)(O)CC4)cc3)nn2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.80
HTR2A P28223 12/20 0.80
CHRM1 P11229 9/20 0.80
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL4591272 0.90 MCHR1 (0.64) MCHR1HTR2ACHRM1
SCHEMBL4592187 0.88 MCHR1 (1.00) MCHR1HTR2ACHRM1
SCHEMBL14503852 0.83 MCHR1 (0.81) MCHR1HTR2ACHRM1
SCHEMBL14505115 0.79 MCHR1 (0.62) MCHR1HTR2ACHRM1
SCHEMBL4591105 0.79 MCHR1 (0.77) MCHR1HTR2ACHRM1
SCHEMBL5429472 0.77 MCHR1 (0.74) MCHR1HTR2ACHRM1
SCHEMBL14504889 0.76 BCHE (0.45) MCHR1HTR2ACHRM1MMP1MMP9
SCHEMBL4591998 0.75 MCHR1 (0.78) MCHR1HTR2ACHRM1
SCHEMBL4591929 0.74 MCHR1 (0.79) MCHR1HTR2ACHRM1
SCHEMBL4591650 0.74 MCHR1 (0.69) MCHR1HTR2ACHRM1

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.