SCHEMBL5577702

SCHEMBL5577702

CCNC(=O)N(Cc1ccc(C)cc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.51
HRH3 Q9Y5N1 5/20 0.49
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5577834 0.95 GAA (0.52) MCHR1GAAKDM4ELMNASIGMAR1
SCHEMBL5577823 0.93 HRH3 (0.47) MCHR1HRH3GAAKDM4ELMNA
SCHEMBL5577520 0.92 SIGMAR1 (0.45) MCHR1HRH3GAAKDM4ELMNA
SCHEMBL5577574 0.91 GAA (0.44) MCHR1HRH3GAAKDM4ELMNA
SCHEMBL5577647 0.91 CACNA1G (0.48) MCHR1HRH3GAAKDM4ELMNA
SCHEMBL5577271 0.90 MEN1 (0.45) MCHR1GAAKDM4ELMNASIGMAR1
SCHEMBL5577872 0.89 MEN1 (0.49) MCHR1HRH3KDM4ESIGMAR1MEN1
SCHEMBL5577819 0.89 ACHE (0.46) MCHR1HRH3KDM4ESIGMAR1MEN1
SCHEMBL5577462 0.88 SIGMAR1 (0.51) HRH3GAAKDM4ELMNASIGMAR1
SCHEMBL5577339 0.88 KDM4E (0.50) MCHR1HRH3GAAKDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MCHR1 4381/4885HRH3 323/4885GAA 3806/4885

“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.