SCHEMBL13453003

SCHEMBL13453003

NCc1ccc(-n2ccnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.51
KCNH2 Q12809 4/20 0.51
DNMT3A Q9Y6K1 1/20 0.49
SIGMAR1 Q99720 2/20 0.48

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
SCHEMBL13453006 0.91 MCHR1 (0.52) MCHR1KCNH2DNMT3ASIGMAR1
SCHEMBL13452930 0.89 MCHR1 (0.49) MCHR1KCNH2DNMT3ASIGMAR1
SCHEMBL13452929 0.89 MCHR1 (0.55) MCHR1KCNH2DNMT3ASIGMAR1
SCHEMBL13453751 0.88 MCHR1 (0.49) MCHR1KCNH2DNMT3ASIGMAR1
SCHEMBL14520736 0.88 MCHR1 (0.51) MCHR1KCNH2DNMT3ASIGMAR1
SCHEMBL14032885 0.88 DRD4 (0.51) MCHR1KCNH2DNMT3ASIGMAR1
SCHEMBL13452928 0.86 MCHR1 (0.52) MCHR1KCNH2SIGMAR1
SCHEMBL14520528 0.85 MCHR1 (0.36) MCHR1KCNH2DNMT3A
SCHEMBL13453752 0.84 MCHR1 (0.48) MCHR1KCNH2DNMT3A
SCHEMBL13453176 0.84 MCHR1 (0.49) MCHR1KCNH2DNMT3ASIGMAR1

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
EP-1966191-B1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-03-17 EP disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
WO-2007071639-A1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 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-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A MCHR1 1323/4885KCNH2 401/4885DNMT3A 2832/4885

“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.