SCHEMBL5577309

SCHEMBL5577309

COc1ccc(N(Cc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)C(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.57
OPRM1 P35372 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
SSTR5 P35346 1/20 0.45
CACNA1G O43497 1/20 0.45
BCHE P06276 1/20 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
SCHEMBL5577526 0.92 ACHE (0.49) ACHEOPRM1CHRM2CHRM3MEN1
SCHEMBL5577665 0.91 ACHE (0.59) ACHEMEN1KMT2ASIGMAR1
SCHEMBL5577412 0.90 ACHE (0.60) ACHEMEN1KMT2ASIGMAR1CACNA1G
SCHEMBL5577790 0.90 ACHE (0.56) ACHEOPRM1MEN1KMT2ASIGMAR1
SCHEMBL5577523 0.90 ACHE (0.56) ACHECHRM2CHRM3MEN1KMT2A
SCHEMBL5577274 0.89 CACNA1G (0.47) ACHEOPRM1CHRM2CHRM3MEN1
SCHEMBL5577264 0.88 GAA (0.48) ACHECHRM2CHRM3MEN1KMT2A
SCHEMBL5577319 0.86 MEN1 (0.52) ACHEMEN1KMT2ASIGMAR1
SCHEMBL5577483 0.84 ACHE (0.49) ACHECHRM3MEN1KMT2ASIGMAR1
SCHEMBL5577466 0.84 ACHE (0.52) ACHEMEN1KMT2ASIGMAR1

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 1504/4885OPRM1 584/4885CHRM2 3462/4885

“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.