SCHEMBL5577338

SCHEMBL5577338

CCNC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
CACNA1G O43497 4/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 3/20 0.40
GAA P10253 2/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CHRM4 P08173 2/20 0.40
SLC6A12 P48065 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL5577482 0.91 SIGMAR1 (0.43) SIGMAR1CACNA1GGAAACHEKDM4E
SCHEMBL5577920 0.90 MEN1 (0.48) SIGMAR1CACNA1GCHRM4
SCHEMBL5577281 0.88 ACHE (0.48) SIGMAR1CACNA1GMCHR1GAAACHE
SCHEMBL5577663 0.88 ACHE (0.49) SIGMAR1ALDH1A1L3MBTL1GAAACHE
SCHEMBL5577819 0.88 ACHE (0.46) SIGMAR1ALDH1A1MCHR1ACHEKDM4E
SCHEMBL5577273 0.88 SIGMAR1 (0.45) SIGMAR1ALDH1A1L3MBTL1MCHR1GAA
SCHEMBL5577520 0.88 SIGMAR1 (0.45) SIGMAR1CACNA1GMCHR1GAAKDM4E
SCHEMBL5577913 0.86 HRH3 (0.50) SIGMAR1ACHE
SCHEMBL5577478 0.85 ACHE (0.43) SIGMAR1MCHR1ACHE
SCHEMBL5577870 0.84 SIGMAR1 (0.47) SIGMAR1ACHE

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 3281/4885CACNA1G 4769/4885ALDH1A1 1147/4885

“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.