SCHEMBL4500752

SCHEMBL4500752

O=C1C(Cc2ccc(OCCOc3ccc(C(F)(F)F)cn3)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
SCN9A Q15858 5/20 0.39
LIPE Q05469 9/20 0.38
MGLL Q99685 3/20 0.37
BCHE P06276 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HPGD P15428 1/20 0.36
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4516244 0.83 SMN1; SMN2 (0.44) HSD11B1SCN9ALIPEHPGD
SCHEMBL4526922 0.83 HSD11B1 (0.47) HSD11B1LIPEHPGD
SCHEMBL4520465 0.82 HPGD (0.48) HSD11B1HPGD
SCHEMBL4516252 0.82 HSD11B1 (0.55) HSD11B1HPGD
SCHEMBL4514386 0.82 HSD11B1 (0.46) HSD11B1HPGD
SCHEMBL14365302 0.82 SCN9A (0.43) SCN9ALIPEMGLLSCN10A
SCHEMBL4517138 0.81 HSD11B1 (0.52) HSD11B1
SCHEMBL4525800 0.81 HSD11B1 (0.47) HSD11B1HPGD
SCHEMBL13674511 0.81 HSD11B1 (0.47) HSD11B1HPGD
SCHEMBL4514536 0.80 SCN9A (0.47) SCN9ALIPEMGLLSCN10A

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 5 patents. 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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885SCN9A 1272/4885LIPE 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.