SCHEMBL2996542

SCHEMBL2996542

O=C(N1CCc2ccc(CCc3ccc(OCc4ccccc4)nn3)cc2CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
FFAR1 O14842 1/20 0.39
ENPP2 Q13822 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
OPRK1 P41145 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL13212468 0.88 ESR1 (0.42) ESR1ESR2OPRM1OPRD1
SCHEMBL2993117 0.83 HRH3 (0.56) MCHR1FFAR1HRH3
SCHEMBL3008634 0.82 NR1H2 (0.48) ESR2FFAR1HRH3TMEM97SIGMAR1
SCHEMBL3013572 0.81 HRH3 (0.53) MCHR1FFAR1HRH3TMEM97SIGMAR1
SCHEMBL3001382 0.80 ESR1 (0.39) ESR1ESR2ENPP2HRH3
SCHEMBL13213212 0.79 CHRNA7 (0.52) MCHR1FFAR1HRH3TMEM97SIGMAR1
SCHEMBL3009986 0.78 HTR2B (0.46) MCHR1FFAR1HRH3HTR2AHTR2C
SCHEMBL3829442 0.78 MCHR1 (0.40) MCHR1FFAR1ENPP2
SCHEMBL1364775 0.75 MCHR1 (0.52) MCHR1HRH3
SCHEMBL3009073 0.74 CFD (0.41) MCHR1FFAR1HTR2AHTR2CHTR2B

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 MCHR1 1/4885ESR1 1819/4885ESR2 699/4885

“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.