SCHEMBL3064436

SCHEMBL3064436

Cn1c(C(=O)O)cc2ccc(Oc3ccc(NCC(=O)c4ccc(OC(F)F)cc4)cn3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CHRNA7 P36544 1/20 0.37
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX3 P56373 8/20 0.36
STAT3 P40763 2/20 0.35
GFER P55789 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL3064438 0.81 OXTR (0.41) PPARGSCN9ASCN10ACHRNA7KDM4E
SCHEMBL3057626 0.79 KDM4E (0.43) PPARGSCN9ACHRNA7KDM4EP2RX3
SCHEMBL3063119 0.76 GAA (0.58) NPC1KDM4ERAB9ASTAT3
SCHEMBL3061602 0.75 RAB9A (0.50) CHRNA7NPC1RAB9ASTAT3
SCHEMBL3062332 0.74 KCNQ3 (0.48) CHRNA7NPC1KDM4ERAB9A
SCHEMBL3654643 0.74 HRH3 (0.38) PPARGSCN9ACHRNA7P2RX3GFER
SCHEMBL3063818 0.74 MAPT (0.41) PPARGSCN9ACHRNA7KDM4EP2RX3
SCHEMBL3705800 0.72 CHRNA7 (0.45) PPARGCHRNA7RAB9AP2RX3GFER
SCHEMBL3057343 0.72 L3MBTL1 (0.45) PPARGCHRNA7KDM4EP2RX3
SCHEMBL3055933 0.71 HRH3 (0.43) STAT3

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 PPARG 1152/4885SCN9A 2616/4885SCN10A 2006/4885

“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.