SCHEMBL4515969

SCHEMBL4515969

O=C(O)c1ccccc1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.66
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
FOLH1 Q04609 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.37
BTK Q06187 1/20 0.37
GRIK1 P39086 1/20 0.37
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL4523615 0.89 HSD11B1 (0.61) HSD11B1ALDH1A1KDM4EHTTPOLB
SCHEMBL4513628 0.86 HSD11B1 (0.57) HSD11B1ALDH1A1KDM4E
SCHEMBL4515313 0.86 HSD11B1 (0.57) HSD11B1ALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL4518739 0.83 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2993380 0.83 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL3543212 0.82 HSD11B1 (0.68) HSD11B1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL208945 0.81 HSD11B1 (0.52) HSD11B1ALDH1A1HSD17B10
SCHEMBL4501841 0.81 HSD11B1 (0.60) HSD11B1ALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL3551976 0.81 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4EHTT
SCHEMBL3545737 0.81 HSD11B1 (0.67) HSD11B1ALDH1A1SMN1; SMN2LMNA

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 1/4885ALDH1A1 51/4885HSD17B10 20/4885

“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.