SCHEMBL3057438

SCHEMBL3057438

O=C(CN1CCc2cc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cn3)ccc21)N1CCN(C(Cc2ccccc2)C2=COCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
AR P10275 1/20 0.36
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
KMT2A Q03164 1/20 0.36
LIPE Q05469 2/20 0.34
SCN9A Q15858 3/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34
USP30 Q70CQ3 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL3045827 0.90 PGR (0.34) NR3C1HTR2AHTR2CHTR2BKMT2A
SCHEMBL3058665 0.84 OPRM1 (0.38) SCN7AKCNH2
SCHEMBL3051012 0.83 L3MBTL1 (0.36) KMT2AGAA
SCHEMBL3061116 0.82 HRH3 (0.37) HTR2AHTR2CHTR2BKMT2A
SCHEMBL3057429 0.79 LMNA (0.47) KMT2AKCNH2
SCHEMBL3065126 0.79 GAA (0.39) HTR2AHTR2CHTR2BSCN9AGAA
SCHEMBL3057195 0.79 HTR2C (0.32) HTR2AHTR2CHTR2BLIPEGAA
SCHEMBL3059771 0.72 LOXL2 (0.40) SCN9AGAA
SCHEMBL3061625 0.72 HRH3 (0.36) KMT2A
SCHEMBL3055934 0.72 EGLN1 (0.32) KMT2A

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 NR3C1 185/4885AR 58/4885HTR2A 124/4885

“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.