SCHEMBL5577500

SCHEMBL5577500

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
CCR5 P51681 5/20 0.44
ACHE P22303 3/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ATM Q13315 1/20 0.43
DRD3 P35462 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
SCHEMBL5577410 0.91 DRD4 (0.45) SIGMAR1ACHEMEN1KMT2AATM
SCHEMBL5577483 0.91 ACHE (0.49) SIGMAR1ACHEMEN1KMT2A
SCHEMBL5577801 0.91 ACHE (0.52) SIGMAR1ACHEMEN1KMT2AATM
SCHEMBL5577546 0.90 ACHE (0.47) SIGMAR1ACHEMEN1KMT2AATM
SCHEMBL5577466 0.90 ACHE (0.52) SIGMAR1CCR5ACHEMEN1KMT2A
SCHEMBL5577547 0.89 ACHE (0.48) SIGMAR1ACHEMEN1KMT2AATM
SCHEMBL5577870 0.88 SIGMAR1 (0.47) SIGMAR1CCR5ACHE
SCHEMBL5577751 0.87 ACHE (0.47) SIGMAR1ACHEMEN1KMT2A
SCHEMBL5577817 0.86 SIGMAR1 (0.52) SIGMAR1MEN1KMT2AATMDRD3
SCHEMBL5577526 0.86 ACHE (0.49) SIGMAR1ACHEMEN1KMT2A

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.