SCHEMBL5543837

SCHEMBL5543837

CC1(O)CCC(N2CCC(Cc3ccc(OCC(=O)NCc4ccc(Cl)cc4Cl)cc3Cl)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.43
EPHX2 P34913 7/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 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
SCHEMBL4509276 0.90 ALDH1A1 (0.40) CYP2C9CYP2C19
SCHEMBL4508294 0.89 ALDH1A1 (0.43) P2RX7
SCHEMBL4504293 0.89 ALDH1A1 (0.41)
SCHEMBL4523525 0.87 P2RX7 (0.44) P2RX7EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4500860 0.87 ALDH1A1 (0.39) P2RX7
SCHEMBL4511140 0.87 ALDH1A1 (0.46)
SCHEMBL4511295 0.87 MAPT (0.46) P2RX7EPHX2
SCHEMBL4511135 0.87 ATF4 (0.47) CYP2C19
SCHEMBL4509399 0.86 MCL1 (0.39)
SCHEMBL13674510 0.86 ALDH1A1 (0.38) P2RX7

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-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

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 P2RX7 3946/4885EPHX2 670/4885CYP2C9 597/4885

“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.