SCHEMBL4513154

SCHEMBL4513154

CSc1ccc(CC2CCN(C3CCCCC3)C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.69
POLB P06746 2/20 0.41
CES2 O00748 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 8/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
TP53 P04637 1/20 0.35
HPGD P15428 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
SCHEMBL3548392 0.86 HSD11B1 (0.76) HSD11B1CES2ALDH1A1MCOLN3TP53
SCHEMBL3548948 0.82 HSD11B1 (0.74) HSD11B1LMNATP53
SCHEMBL4514748 0.82 HSD11B1 (0.74) HSD11B1POLBCES2MAPTALDH1A1
SCHEMBL14365000 0.82 HSD11B1 (0.74) HSD11B1CES2ALDH1A1SMN1; SMN2MCOLN3
SCHEMBL2986964 0.82 HSD11B1 (1.00) HSD11B1CES2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3549526 0.82 HSD11B1 (0.69) HSD11B1CES2ALDH1A1MCOLN3
SCHEMBL3554688 0.82 HSD11B1 (0.69) HSD11B1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL13266315 0.81 HSD11B1 (0.67) HSD11B1POLBCES2ALDH1A1LMNA
SCHEMBL4523599 0.81 HSD11B1 (0.67) HSD11B1CES2ALDH1A1MCOLN3TP53
SCHEMBL3542808 0.80 HSD11B1 (0.84) HSD11B1CES2ALDH1A1SMN1; SMN2MCOLN3

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 1/4885POLB 2628/4885CES2 476/4885

“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.