SCHEMBL4517638

SCHEMBL4517638

O=C(O)c1ccc(CC2CCN(C3CCCCC3)C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.73
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CCR5 P51681 1/20 0.42
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
SRD5A2 P31213 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4751912 0.87 HSD11B1 (0.56) HSD11B1KMT2AL3MBTL1ALDH1A1CCR5
SCHEMBL4697040 0.86 HSD11B1 (0.55) HSD11B1KMT2AL3MBTL1ALDH1A1CCR5
SCHEMBL4518607 0.85 HSD11B1 (0.63) HSD11B1KMT2AALDH1A1EPHX2SMN1; SMN2
SCHEMBL4525490 0.85 HSD11B1 (0.63) HSD11B1KMT2AALDH1A1CCR5HRH3
SCHEMBL4518867 0.85 HSD11B1 (0.63) HSD11B1KMT2AALDH1A1CCR5HRH3
SCHEMBL2986964 0.85 HSD11B1 (1.00) HSD11B1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4065125 0.84 HSD11B1 (0.56) HSD11B1KMT2ACCR5MEN1HSD17B10
SCHEMBL4511332 0.84 HSD11B1 (0.68) HSD11B1KMT2AALDH1A1CCR5SMN1; SMN2
SCHEMBL3548392 0.83 HSD11B1 (0.76) HSD11B1KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL4508535 0.83 HSD11B1 (0.70) HSD11B1KMT2AL3MBTL1ALDH1A1SMN1; SMN2

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 1/4885KMT2A 2379/4885L3MBTL1 3517/4885

“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.