SCHEMBL3000996

SCHEMBL3000996

CC(c1ccc(C=O)cc1)c1ccc(OCc2ccccc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TYR P14679 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AMY1A P0DUB6 1/20 0.36
TSHR P16473 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35

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
SCHEMBL3011586 0.87 MAOA (0.49) GAAMAOAMAOBFFAR1LMNA
SCHEMBL21922352 0.77 GAA (0.53) GAAFFAR1LMNAHTTPKM
SCHEMBL3007783 0.74 CYP4F2 (0.48) GAAFFAR1LMNAHTTPKM
SCHEMBL3001000 0.73 MAOA (0.43) GAAMAOAMAOBFFAR1LMNA
SCHEMBL510599 0.72 MAOA (0.53) MAOAMAOBFFAR1PKMALDH1A1
SCHEMBL31624114 0.72 MAOA (0.53) MAOAMAOBFFAR1PKMALDH1A1
SCHEMBL3006373 0.72 ACACB (0.41) GAAMAOAMAOBLMNAHTT
SCHEMBL4274920 0.72 LMNA (0.55) GAAMAOAMAOBLMNAHTT
SCHEMBL3006684 0.71 MAOA (0.43) GAAMAOAMAOBFFAR1LMNA
SCHEMBL3002842 0.70 MAOA (0.42) GAAMAOAMAOBFFAR1LMNA

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
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R GAA 892/4885MAOA 352/4885MAOB 218/4885

“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.