SCHEMBL3007724

SCHEMBL3007724

c1ccc(COc2ccc(CCc3ccc(CN4CCCC4)nc3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
HRH3 Q9Y5N1 9/20 0.46
LTA4H P09960 3/20 0.43
CD274 Q9NZQ7 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 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
SCHEMBL13213294 0.86 HRH3 (0.52) MCHR1HRH3LTA4HCD274ALDH1A1
SCHEMBL13213110 0.86 LTA4H (0.63) MCHR1HRH3LTA4H
SCHEMBL13213333 0.85 MCHR1 (0.52) MCHR1HRH3CD274ALDH1A1SMN1; SMN2
SCHEMBL3011742 0.82 MCHR1 (0.48) MCHR1HRH3LTA4H
SCHEMBL2996145 0.81 MCHR1 (0.44) MCHR1LTA4HALDH1A1CHRM1
SCHEMBL3006825 0.81 MCHR1 (0.44) MCHR1ALDH1A1SMN1; SMN2
SCHEMBL3009053 0.81 MCHR1 (0.46) MCHR1HRH3LTA4HALDH1A1SMN1; SMN2
SCHEMBL3008681 0.81 MCHR1 (0.70) MCHR1CD274SMN1; SMN2CHRM1
SCHEMBL3012000 0.80 HRH3 (0.49) HRH3LTA4HALDH1A1
SCHEMBL2997749 0.80 LTA4H (0.67) MCHR1HRH3LTA4HALDH1A1SMN1; SMN2

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 6 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
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 1/4885HRH3 119/4885LTA4H 2623/4885

“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.