SCHEMBL4522748

SCHEMBL4522748

O=C1N(Cc2cccnc2)CCN1c1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.52
HDAC1 Q13547 1/20 0.41
POLB P06746 1/20 0.34
SCN9A Q15858 1/20 0.34
HTT P42858 1/20 0.33
P2RX7 Q99572 1/20 0.33
SCD O00767 2/20 0.33
F2 P00734 1/20 0.32
F10 P00742 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 0.92 HSD11B1 (0.62) HSD11B1HDAC1P2RX7
SCHEMBL4504587 0.86 HSD11B1 (0.51) HSD11B1P2RX7
SCHEMBL4517521 0.86 HSD11B1 (0.50) HSD11B1HDAC1P2RX7
SCHEMBL4517900 0.80 HSD11B1 (0.53) HSD11B1HTT
SCHEMBL4516853 0.80 HSD11B1 (0.55) HSD11B1
SCHEMBL4518294 0.78 HSD11B1 (0.55) HSD11B1POLBP2RX7
SCHEMBL4524136 0.77 HSD11B1 (0.50) HSD11B1POLBHTTP2RX7
SCHEMBL4519335 0.76 HSD11B1 (0.62) HSD11B1
SCHEMBL4513867 0.76 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 1/4885HDAC1 226/4885POLB 2628/4885

“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.