SCHEMBL4513611

SCHEMBL4513611

O=C1C(Cc2c(Cl)cccc2Cl)CCN1[C@@H]1C[C@@H]2CC[C@@H]1C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.46
HCAR1 Q9BXC0 2/20 0.38
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 3/20 0.34

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
SCHEMBL4513608 1.00 HSD11B1 (0.46) HSD11B1HCAR1KDM4EKMT2AMEN1
SCHEMBL4500936 0.80 HSD11B1 (0.41) HSD11B1HCAR1
SCHEMBL3880991 0.80 HSD11B1 (0.41) HSD11B1HCAR1
SCHEMBL4500942 0.80 HSD11B1 (0.41) HSD11B1HCAR1
SCHEMBL4514847 0.77 HSD11B1 (0.71) HSD11B1
SCHEMBL3553955 0.76 HSD11B1 (0.64) HSD11B1KMT2AMEN1
SCHEMBL4512741 0.75 HSD11B1 (0.49) HSD11B1KMT2AMEN1
SCHEMBL4519820 0.74 HSD11B1 (0.48) HSD11B1
SCHEMBL2989122 0.74 HSD11B1 (0.48) HSD11B1KDM4EKMT2AMEN1CYP3A4
SCHEMBL4514552 0.74 HSD11B1 (0.48) HSD11B1KDM4EKMT2AMEN1CYP3A4

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 2 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
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 1/4885HCAR1 358/4885KDM4E 2703/4885

“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.