SCHEMBL3013909

SCHEMBL3013909

ClCc1ccc(CCc2ccc(OCc3ccccc3)nn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.36
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL3006825 0.91 MCHR1 (0.44) MCHR1FFAR1LMNAHTTALDH1A1
SCHEMBL3001610 0.91 MCHR1 (0.44) MCHR1FFAR1LMNAHTTALDH1A1
SCHEMBL3003517 0.85 MCHR1 (0.44) MCHR1FFAR1LMNAHTTALDH1A1
SCHEMBL2998248 0.84 KCNH2 (0.43) FFAR1ALDH1A1CYP2D6
SCHEMBL3004268 0.83 MCHR1 (0.46) MCHR1FFAR1LMNAHTTALDH1A1
SCHEMBL2996145 0.83 MCHR1 (0.44) MCHR1FFAR1LMNAHTTALDH1A1
SCHEMBL510358 0.81 GABRP (0.44) FFAR1ALDH1A1PKMGABRG2GABRB3
SCHEMBL3006684 0.80 MAOA (0.43) MCHR1FFAR1LMNAHTTALDH1A1
SCHEMBL13213294 0.79 HRH3 (0.52) MCHR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL3004215 0.79 FFAR1 (0.45) MCHR1FFAR1LMNAHTTALDH1A1

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 5 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
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
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 MCHR1 1/4885FFAR1 202/4885LMNA 3552/4885

“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.