SCHEMBL4591798

SCHEMBL4591798

N#Cc1cccc(-c2ccc(CCCN)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MAOB P27338 1/20 0.43
IDO1 P14902 2/20 0.43
NOTUM Q6P988 1/20 0.43
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA5 P31644 5/20 0.41
GABRA3 P34903 5/20 0.41
KDM1A O60341 1/20 0.41
XDH P47989 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GABRA1 P14867 1/20 0.41
ATR Q13535 1/20 0.40
GRM5 P41594 1/20 0.39
CYP11B1 P15538 1/20 0.38

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
SCHEMBL4592496 0.83 HTR2A (0.50) MAOBNOTUMGABRG2GABRB3GABRA5
SCHEMBL4592464 0.73 MAOB (0.38) MAOBNOTUMGABRG2GABRB3GABRA5
SCHEMBL1133807 0.72 IDO1 (0.50) CTSSCTSKMAOBIDO1NOTUM
SCHEMBL3591796 0.71 MAOB (0.47) CTSSCTSKMAOBIDO1NOTUM
SCHEMBL4592094 0.70 MCHR1 (0.46) CYP11B1
SCHEMBL6420561 0.70 ADRA2C (0.47) ADRA2CCYP11B1
SCHEMBL4592191 0.69 MCHR1 (0.48) MAOBNOTUM
SCHEMBL4591859 0.69 MCHR1 (0.48) MAOB
SCHEMBL4592777 0.69 LMNA (0.45) NOTUM
SCHEMBL15783689 0.69 CHRM1 (0.50) MAOB

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 ADRA2C 65/4885CTSS 3386/4885CTSK 3614/4885

“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.