SCHEMBL5577913

SCHEMBL5577913

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.50
KCNH2 Q12809 6/20 0.50
ACHE P22303 2/20 0.46
SIGMAR1 Q99720 4/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 0.94 ACHE (0.48) HRH3ACHESIGMAR1
SCHEMBL5577819 0.93 ACHE (0.46) HRH3KCNH2ACHESIGMAR1MEN1
SCHEMBL5577870 0.91 SIGMAR1 (0.47) HRH3KCNH2ACHESIGMAR1
SCHEMBL5577274 0.91 CACNA1G (0.47) ACHESIGMAR1MEN1KMT2A
SCHEMBL5577823 0.89 HRH3 (0.47) HRH3KCNH2SIGMAR1
SCHEMBL5577523 0.88 ACHE (0.56) HRH3KCNH2ACHESIGMAR1MEN1
SCHEMBL5577482 0.88 SIGMAR1 (0.43) HRH3KCNH2ACHESIGMAR1MEN1
SCHEMBL5577546 0.88 ACHE (0.47) HRH3KCNH2ACHESIGMAR1MEN1
SCHEMBL5577478 0.87 ACHE (0.43) HRH3ACHESIGMAR1KMT2A
SCHEMBL5577338 0.86 SIGMAR1 (0.43) ACHESIGMAR1

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 HRH3 323/4885KCNH2 3617/4885ACHE 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.