SCHEMBL4513595

SCHEMBL4513595

O=C(CO)Nc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 7/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4510127 0.89 HSD11B1 (0.47) HSD11B1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL13674559 0.88 HSD11B1 (0.43) HSD11B1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL4505773 0.87 NPC1 (0.53) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL4514812 0.87 ALDH1A1 (0.46) HSD11B1HPGDALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4515008 0.87 HSD11B1 (0.42) HSD11B1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL4508949 0.86 HSD11B1 (0.43) HSD11B1HPGDALDH1A1SMN1; SMN2MCHR1
SCHEMBL4501753 0.85 HSD11B1 (0.48) HSD11B1HPGDALDH1A1SMN1; SMN2POLB
SCHEMBL4516607 0.85 HSD11B1 (0.44) HSD11B1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL4511944 0.85 HSD11B1 (0.52) HSD11B1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5543818 0.85 HSD11B1 (0.43) HSD11B1HPGDALDH1A1KDM4EHSD17B10

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 1/4885HPGD 63/4885ALDH1A1 51/4885

“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.