SCHEMBL4514543

SCHEMBL4514543

CC1(O)CCC(N2CCCC2=O)CC1Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.43
MGLL Q99685 2/20 0.40
LIPE Q05469 3/20 0.39
SCN10A Q9Y5Y9 2/20 0.39

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
SCHEMBL4514536 0.79 SCN9A (0.47) SCN9AMGLLLIPESCN10A
SCHEMBL5506138 0.78 P2RX7 (0.46)
SCHEMBL14365302 0.77 SCN9A (0.43) SCN9AMGLLLIPESCN10A
SCHEMBL5647120 0.69 LIPE (0.71) SCN9ALIPESCN10A
SCHEMBL4130462 0.66 DPP4 (0.38)
SCHEMBL4500752 0.66 HSD11B1 (0.39) SCN9AMGLLLIPESCN10A
SCHEMBL11411966 0.64 THRB (0.58) SCN9ALIPESCN10A
SCHEMBL5504644 0.64 HRH3 (0.41)
SCHEMBL5500238 0.64 DPP4 (0.41)
SCHEMBL4516244 0.62 SMN1; SMN2 (0.44) SCN9ALIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 SCN9A 1272/4885MGLL 374/4885LIPE 58/4885

“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.