SCHEMBL2999396

SCHEMBL2999396

CC1(O)CCN(CCc2ccc(CCc3ccc(OCc4ccccc4)nn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
FFAR1 O14842 1/20 0.38
SIGMAR1 Q99720 5/20 0.38
OPRM1 P35372 3/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
ENPP2 Q13822 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL3002606 0.93 MCHR1 (0.44) MCHR1HRH3FFAR1SIGMAR1OPRM1
SCHEMBL3010231 0.80 NPC1 (0.44) MCHR1HRH3FFAR1SIGMAR1CYP2D6
SCHEMBL13213294 0.78 HRH3 (0.52) MCHR1HRH3SIGMAR1CYP2D6
SCHEMBL2998090 0.77 MCHR1 (0.47) MCHR1HRH3DRD3CHRM2CYP2D6
SCHEMBL2997749 0.77 LTA4H (0.67) MCHR1HRH3
SCHEMBL14155787 0.76 ACHE (0.53) MCHR1HRH3OPRM1DRD3OPRK1
SCHEMBL3002974 0.76 CYP4F2 (0.47) MCHR1FFAR1LMNAENPP2
SCHEMBL2996810 0.74 MCHR1 (0.56) MCHR1HRH3SIGMAR1ENPP2
SCHEMBL3008161 0.74 MCHR1 (0.51) MCHR1HRH3FFAR1CYP2D6ENPP2
SCHEMBL13213110 0.74 LTA4H (0.63) MCHR1HRH3DRD3DRD1

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 MCHR1 1/4885HRH3 119/4885FFAR1 202/4885

“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.