SCHEMBL2994086

SCHEMBL2994086

c1cc(CN2CCCC2)ccc1CCc1ccc(OCC2CCCCO2)nn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
MCHR1 Q99705 4/20 0.43
DRD4 P21917 6/20 0.39
CHRM1 P11229 1/20 0.39
ENPP2 Q13822 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3002707 0.92 MCHR1 (0.49) HRH3MCHR1DRD4CHRM1NPC1
SCHEMBL3006201 0.82 HPGD (0.41) NPC1
SCHEMBL13212998 0.74 MCHR1 (0.46) HRH3MCHR1CHRM1ENPP2NPC1
SCHEMBL23530302 0.73 POLB (0.41) NPC1
SCHEMBL2997403 0.73 HRH3 (0.43) HRH3MCHR1CHRM1ENPP2
SCHEMBL3008629 0.72 MCHR1 (0.43) HRH3MCHR1CHRM1ENPP2
SCHEMBL13212999 0.70 LTA4H (0.42) HRH3MCHR1CHRM1ENPP2
SCHEMBL13212995 0.70 MCHR1 (0.47) HRH3MCHR1CHRM1ENPP2NPC1
SCHEMBL2996810 0.70 MCHR1 (0.56) HRH3MCHR1CHRM1ENPP2NPC1
SCHEMBL13212993 0.69 ALDH1A1 (0.51) HRH3MCHR1CHRM1

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 HRH3 119/4885MCHR1 1/4885DRD4 392/4885

“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.