SCHEMBL5577281

SCHEMBL5577281

CCNC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
SIGMAR1 Q99720 4/20 0.46
CACNA1G O43497 3/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CHRM4 P08173 2/20 0.43
SLC6A12 P48065 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MCHR1 Q99705 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL5577819 0.94 ACHE (0.46) ACHESIGMAR1KDM4EMCHR1HRH3
SCHEMBL5577913 0.94 HRH3 (0.50) ACHESIGMAR1HRH3
SCHEMBL5577274 0.91 CACNA1G (0.47) ACHESIGMAR1CACNA1G
SCHEMBL5577478 0.91 ACHE (0.43) ACHESIGMAR1MCHR1HRH3
SCHEMBL5577870 0.91 SIGMAR1 (0.47) ACHESIGMAR1HRH3
SCHEMBL5577782 0.89 MEN1 (0.50) ACHESIGMAR1CACNA1GCHRM4
SCHEMBL5577482 0.88 SIGMAR1 (0.43) ACHESIGMAR1CACNA1GGAAKDM4E
SCHEMBL5577338 0.88 SIGMAR1 (0.43) ACHESIGMAR1CACNA1GGAAKDM4E
SCHEMBL5577665 0.88 ACHE (0.59) ACHESIGMAR1GAAKDM4ELMNA
SCHEMBL5577834 0.87 GAA (0.52) ACHESIGMAR1CACNA1GGAAKDM4E

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 ACHE 1504/4885SIGMAR1 3281/4885CACNA1G 4769/4885

“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.