SCHEMBL5577751

SCHEMBL5577751

COC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
SIGMAR1 Q99720 3/20 0.45
MCHR1 Q99705 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRM1 P35372 2/20 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
SCHEMBL5577483 0.94 ACHE (0.49) ACHESIGMAR1MCHR1MEN1KMT2A
SCHEMBL5577546 0.93 ACHE (0.47) ACHESIGMAR1HRH3MEN1KMT2A
SCHEMBL5577526 0.92 ACHE (0.49) ACHESIGMAR1MEN1KMT2AOPRM1
SCHEMBL5577410 0.90 DRD4 (0.45) ACHESIGMAR1MEN1KMT2A
SCHEMBL5577790 0.90 ACHE (0.56) ACHESIGMAR1MCHR1MEN1KMT2A
SCHEMBL5577354 0.88 MCHR1 (0.51) SIGMAR1MCHR1HRH3MEN1KMT2A
SCHEMBL5577819 0.88 ACHE (0.46) ACHESIGMAR1MCHR1HRH3MEN1
SCHEMBL5577273 0.87 SIGMAR1 (0.45) ACHESIGMAR1MCHR1MEN1KMT2A
SCHEMBL5577500 0.87 SIGMAR1 (0.48) ACHESIGMAR1MEN1KMT2A
SCHEMBL5577801 0.86 ACHE (0.52) ACHESIGMAR1MEN1KMT2AOPRM1

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 3281/4885MCHR1 4381/4885

“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.