SCHEMBL5577274

SCHEMBL5577274

CCNC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.47
ACHE P22303 4/20 0.47
OPRM1 P35372 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SSTR5 P35346 1/20 0.44
DRD2 P14416 1/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL5577281 0.91 ACHE (0.48) CACNA1GACHESIGMAR1
SCHEMBL5577782 0.91 MEN1 (0.50) CACNA1GACHEMEN1KMT2ASIGMAR1
SCHEMBL5577913 0.91 HRH3 (0.50) ACHEMEN1KMT2ASIGMAR1
SCHEMBL5577819 0.91 ACHE (0.46) ACHEOPRM1MEN1KMT2ASIGMAR1
SCHEMBL5577526 0.90 ACHE (0.49) CACNA1GACHEOPRM1MEN1KMT2A
SCHEMBL5577647 0.89 CACNA1G (0.48) CACNA1GACHEMEN1KMT2ASIGMAR1
SCHEMBL5577309 0.89 ACHE (0.57) CACNA1GACHEOPRM1MEN1KMT2A
SCHEMBL5577920 0.87 MEN1 (0.48) CACNA1GMEN1KMT2ASIGMAR1MAPK1
SCHEMBL5577870 0.85 SIGMAR1 (0.47) ACHESIGMAR1
SCHEMBL5577478 0.85 ACHE (0.43) ACHEKMT2ASIGMAR1DRD2

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 CACNA1G 4769/4885ACHE 1504/4885OPRM1 584/4885

“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.