SCHEMBL3006293

SCHEMBL3006293

CN(Cc1ccccc1)c1ccc(CCc2ccc(CN3CCCC3)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.52
CXCR4 P61073 2/20 0.48
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MCHR1 Q99705 2/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL3006889 0.77 KDM4E (0.40) ALDH1A1LMNA
SCHEMBL3012000 0.76 HRH3 (0.49) HRH3ENPP2ALDH1A1SIGMAR1MBTD1
SCHEMBL3005535 0.74 ENPP2 (0.47) HRH3CXCR4ENPP2LMNA
SCHEMBL4591922 0.72 GBA1 (0.42) ALDH1A1SIGMAR1LMNA
SCHEMBL3003711 0.70 MCHR1 (0.43) HRH3ENPP2MBTD1L3MBTL3L3MBTL1
SCHEMBL9211099 0.70 MCHR1 (0.64) HRH3CXCR4ALDH1A1SIGMAR1MBTD1
Hydrochloric Acid SCHEMBL9203917 0.69 MCHR1 (0.63) HRH3CXCR4ALDH1A1SIGMAR1MBTD1
SCHEMBL13952 0.68 SIGMAR1 (0.81) HRH3ALDH1A1SIGMAR1MBTD1L3MBTL3
SCHEMBL1777747 0.68 SIGMAR1 (0.81) HRH3ALDH1A1SIGMAR1MBTD1L3MBTL3
SCHEMBL1364977 0.68 MCHR1 (0.51) HRH3CXCR4ALDH1A1SIGMAR1MBTD1

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 119/4885CXCR4 841/4885ENPP2 434/4885

“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.