SCHEMBL2997725

SCHEMBL2997725

c1ccc(COc2ccc(CCc3cnc4c(c3)CNCC4)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.43
HTR2B P41595 3/20 0.38
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
HTR2A P28223 2/20 0.37
HTR3A P46098 1/20 0.37
HTR6 P50406 1/20 0.37
CHRM2 P08172 1/20 0.36
FFAR1 O14842 1/20 0.36
MCHR1 Q99705 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL3009073 0.85 CFD (0.41) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL3005213 0.85 HTR2B (0.42) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL13213089 0.81 CFD (0.37) HTR2CCHRM4CHRM5CHRM1CHRM3
SCHEMBL3009986 0.81 HTR2B (0.46) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL3006396 0.80 CHRNA7 (0.44) FFAR1MCHR1CYP11B2ALDH1A1
SCHEMBL10277623 0.76 HTR2C (0.47) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL3008470 0.73 MAPT (0.43) FFAR1
SCHEMBL17893805 0.72 HTR2C (0.51) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL10205765 0.71 MCHR1 (0.52) MCHR1CYP3A4
Hydrochloric Acid SCHEMBL31233737 0.71 HTR2B (0.50) HTR2CHTR2BCHRM4CHRM5CHRM1

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 HTR2C 106/4885HTR2B 122/4885CHRM4 173/4885

“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.