SCHEMBL3009986

SCHEMBL3009986

c1ccc(COc2ccc(CCc3ccc4c(c3)CCNCC4)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.46
HTR2C P28335 7/20 0.43
MCHR1 Q99705 1/20 0.40
FFAR1 O14842 1/20 0.39
MLNR O43193 4/20 0.38
HTR2A P28223 3/20 0.38
CYP2D6 P10635 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR3A P46098 1/20 0.37
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL3005213 0.93 HTR2B (0.42) HTR2BHTR2CMCHR1FFAR1HTR2A
SCHEMBL3009073 0.93 CFD (0.41) HTR2BHTR2CMCHR1FFAR1HTR2A
SCHEMBL2993117 0.85 HRH3 (0.56) MCHR1FFAR1CYP2D6HRH3ALDH1A1
SCHEMBL13212465 0.85 MLNR (0.40) HTR2BHTR2CMLNRHTR2ACYP2D6
SCHEMBL3013572 0.83 HRH3 (0.53) MCHR1FFAR1CYP2D6HRH3DRD1
SCHEMBL13213212 0.81 CHRNA7 (0.52) MCHR1FFAR1CYP2D6HRH3ALDH1A1
SCHEMBL2997725 0.81 HTR2C (0.43) HTR2BHTR2CMCHR1FFAR1HTR2A
SCHEMBL2996542 0.78 MCHR1 (0.42) HTR2BHTR2CMCHR1FFAR1HTR2A
SCHEMBL3829442 0.75 MCHR1 (0.40) MCHR1FFAR1
SCHEMBL3007785 0.74 CYP4F2 (0.55) MCHR1FFAR1ALDH1A1DRD2

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 4 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
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 HTR2B 122/4885HTR2C 106/4885MCHR1 1/4885

“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.