SCHEMBL5577823

SCHEMBL5577823

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
KCNH2 Q12809 4/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
MCHR1 Q99705 4/20 0.44

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) GAAKDM4ELMNASIGMAR1MCHR1
SCHEMBL5577702 0.93 MCHR1 (0.51) HRH3GAAKDM4ELMNASIGMAR1
SCHEMBL5577271 0.92 MEN1 (0.45) GAAKDM4ELMNASIGMAR1MCHR1
SCHEMBL5577462 0.91 SIGMAR1 (0.51) HRH3KCNH2GAAKDM4ELMNA
SCHEMBL5577647 0.91 CACNA1G (0.48) HRH3GAAKDM4ELMNASIGMAR1
SCHEMBL5577520 0.90 SIGMAR1 (0.45) HRH3GAAKDM4ELMNASIGMAR1
SCHEMBL5577872 0.89 MEN1 (0.49) HRH3KDM4ESIGMAR1MCHR1
SCHEMBL5577913 0.89 HRH3 (0.50) HRH3KCNH2SIGMAR1
SCHEMBL5577574 0.88 GAA (0.44) HRH3GAAKDM4ELMNASIGMAR1
SCHEMBL5577367 0.88 GAA (0.50) GAAKDM4ELMNASIGMAR1

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 HRH3 323/4885KCNH2 3617/4885GAA 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.