SCHEMBL4504587

SCHEMBL4504587

O=C1N(Cc2ccccn2)CCN1c1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.51
HTR2C P28335 1/20 0.36
P2RX7 Q99572 1/20 0.33
ROCK2 O75116 1/20 0.33
EPHX2 P34913 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
SCHEMBL4499623 0.90 HSD11B1 (0.62) HSD11B1P2RX7ROCK2
SCHEMBL4522748 0.86 HSD11B1 (0.52) HSD11B1P2RX7
SCHEMBL4517521 0.85 HSD11B1 (0.50) HSD11B1P2RX7
SCHEMBL4516853 0.80 HSD11B1 (0.55) HSD11B1ROCK2
SCHEMBL4518294 0.79 HSD11B1 (0.55) HSD11B1P2RX7
SCHEMBL4513448 0.78 HSD11B1 (0.49) HSD11B1P2RX7EPHX2
SCHEMBL4519335 0.77 HSD11B1 (0.62) HSD11B1
SCHEMBL4514029 0.77 HSD11B1 (0.49) HSD11B1EPHX2
SCHEMBL4513867 0.77 HSD11B1 (0.64) HSD11B1
SCHEMBL4513385 0.76 HSD11B1 (0.63) HSD11B1P2RX7

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 4 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

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 1/4885HTR2C 4208/4885P2RX7 3946/4885

“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.