SCHEMBL5577870

SCHEMBL5577870

CCNC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
CCR5 P51681 5/20 0.45
ACHE P22303 3/20 0.43
HRH3 Q9Y5N1 3/20 0.42
KCNH2 Q12809 2/20 0.42
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 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
SCHEMBL5577478 0.92 ACHE (0.43) SIGMAR1ACHEHRH3UBE2MDCUN1D1
SCHEMBL5577281 0.91 ACHE (0.48) SIGMAR1ACHEHRH3
SCHEMBL5577913 0.91 HRH3 (0.50) SIGMAR1ACHEHRH3KCNH2
SCHEMBL5577782 0.90 MEN1 (0.50) SIGMAR1ACHE
SCHEMBL5577466 0.89 ACHE (0.52) SIGMAR1CCR5ACHE
SCHEMBL5577500 0.88 SIGMAR1 (0.48) SIGMAR1CCR5ACHE
SCHEMBL5577819 0.87 ACHE (0.46) SIGMAR1ACHEHRH3KCNH2
SCHEMBL5577462 0.87 SIGMAR1 (0.51) SIGMAR1HRH3KCNH2UBE2MDCUN1D1
SCHEMBL5577482 0.85 SIGMAR1 (0.43) SIGMAR1ACHEHRH3KCNH2ERCC1
SCHEMBL5577274 0.85 CACNA1G (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 3281/4885CCR5 183/4885ACHE 1504/4885

“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.