SCHEMBL5577518

SCHEMBL5577518

CCNC(=O)N(Cc1ccccn1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
OPRM1 P35372 2/20 0.42
KCNH2 Q12809 2/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
CACNA1G O43497 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.38
PRKAA2 P54646 1/20 0.38

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
SCHEMBL5577357 0.89 SIGMAR1 (0.43) SIGMAR1OPRM1KCNH2OPRD1KDM4E
SCHEMBL5577444 0.88 SIGMAR1 (0.43) SIGMAR1OPRM1KCNH2OPRD1KDM4E
SCHEMBL5577834 0.88 GAA (0.52) SIGMAR1KDM4EPOLBGAALMNA
SCHEMBL5577271 0.87 MEN1 (0.45) SIGMAR1KDM4EGAALMNACACNA1G
SCHEMBL5577520 0.87 SIGMAR1 (0.45) SIGMAR1KDM4EGAALMNAHRH3
SCHEMBL5577702 0.86 MCHR1 (0.51) SIGMAR1KDM4EGAALMNAHRH3
SCHEMBL5577823 0.86 HRH3 (0.47) SIGMAR1KCNH2KDM4EGAALMNA
SCHEMBL5577322 0.86 OPRM1 (0.46) SIGMAR1OPRM1KCNH2OPRD1KDM4E
SCHEMBL5577872 0.85 MEN1 (0.49) SIGMAR1KDM4EPOLBHRH3ALDH1A1
SCHEMBL5577647 0.84 CACNA1G (0.48) SIGMAR1KDM4EGAALMNAHRH3

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 SIGMAR1 3281/4885OPRM1 584/4885KCNH2 3617/4885

“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.