SCHEMBL3057680

SCHEMBL3057680

CN(c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n3C)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
SCN9A Q15858 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AHR P35869 1/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.36
STAT3 P40763 2/20 0.36

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
SCHEMBL3064409 0.90 HRH3 (0.44) HRH3SCN9AMEN1KMT2ASTAT3
SCHEMBL3061651 0.89 HRH3 (0.40) HRH3SCN9A
SCHEMBL3060865 0.88 SCN9A (0.49) SCN9ASTAT3
SCHEMBL3046922 0.88 SCN9A (0.46) HRH3SCN9AMEN1KMT2AAHR
SCHEMBL3061606 0.85 HRH3 (0.44) HRH3SCN9AMEN1KMT2APOLB
Bromide SCHEMBL3062612 0.84 STAT3 (0.46) HRH3MEN1KMT2ASTAT3
SCHEMBL3055936 0.84 HRH3 (0.44) HRH3STAT3
SCHEMBL3064852 0.83 HRH3 (0.45) HRH3SCN9AMEN1KMT2ASTAT3
SCHEMBL3057012 0.83 HRH3 (0.40) HRH3SCN9ASTAT3
SCHEMBL3057678 0.82 HRH3 (0.41) HRH3SCN9AKDM1ASTAT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 HRH3 19/4885SCN9A 2616/4885MEN1 275/4885

“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.