SCHEMBL5577501

SCHEMBL5577501

COC(=O)N(Cc1cccc(Cl)c1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 5/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD3 P35462 1/20 0.42
SLC6A12 P48065 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MCHR1 Q99705 1/20 0.42
CACNA1G O43497 1/20 0.42
CCR5 P51681 1/20 0.41

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
SCHEMBL5577820 0.88 GAA (0.53) ACHEGAAKDM4ELMNASIGMAR1
SCHEMBL5577483 0.87 ACHE (0.49) ACHEGAAKDM4ELMNASIGMAR1
SCHEMBL5577547 0.83 ACHE (0.48) ACHEGAAKDM4ELMNASIGMAR1
SCHEMBL5577546 0.83 ACHE (0.47) ACHEKDM4ESIGMAR1
SCHEMBL5577500 0.82 SIGMAR1 (0.48) ACHESIGMAR1DRD3CCR5
SCHEMBL5577698 0.81 MEN1 (0.48) ACHEGAAKDM4ELMNASIGMAR1
SCHEMBL5577751 0.81 ACHE (0.47) ACHEKDM4ESIGMAR1MCHR1
SCHEMBL5577410 0.81 DRD4 (0.45) ACHESIGMAR1CHRM1CHRM3DRD3
SCHEMBL5577526 0.80 ACHE (0.49) ACHESIGMAR1CHRM3CACNA1G
SCHEMBL5577801 0.80 ACHE (0.52) ACHESIGMAR1DRD3CACNA1G

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 1504/4885GAA 3806/4885KDM4E 4213/4885

“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.