SCHEMBL3013572

SCHEMBL3013572

CN1CCc2cc(CCc3ccc(OCc4ccccc4)nn3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
CHRNA7 P36544 2/20 0.51
MCHR1 Q99705 1/20 0.42
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
FFAR1 O14842 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2D6 P10635 3/20 0.38
HRH1 P35367 1/20 0.38
REV1 Q9UBZ9 1/20 0.38

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
SCHEMBL13213212 0.97 CHRNA7 (0.52) HRH3CHRNA7MCHR1HRH4MAOA
SCHEMBL2993117 0.97 HRH3 (0.56) HRH3CHRNA7MCHR1HRH4FFAR1
SCHEMBL3006396 0.86 CHRNA7 (0.44) HRH3CHRNA7MCHR1HRH4FFAR1
SCHEMBL3009986 0.83 HTR2B (0.46) HRH3MCHR1DRD1FFAR1CYP2D6
SCHEMBL2996542 0.81 MCHR1 (0.42) HRH3MCHR1FFAR1TMEM97SIGMAR1
SCHEMBL3010231 0.80 NPC1 (0.44) HRH3MCHR1HRH4FFAR1TMEM97
SCHEMBL3008634 0.80 NR1H2 (0.48) HRH3FFAR1TMEM97SIGMAR1HRH1
SCHEMBL3009073 0.79 CFD (0.41) MCHR1MAOBFFAR1
SCHEMBL3005213 0.79 HTR2B (0.42) MCHR1MAOBFFAR1
SCHEMBL8188071 0.75 HRH3 (0.92) HRH3CHRNA7DRD1DRD5CYP2D6

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 119/4885CHRNA7 512/4885MCHR1 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.