SCHEMBL4514152

SCHEMBL4514152

COc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
LMNA P02545 7/20 0.39
ALDH1A1 P00352 6/20 0.39
TP53 P04637 5/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4508107 0.82 HSD11B1 (0.46) HSD11B1LMNAALDH1A1TP53CYP3A4
SCHEMBL4701056 0.80 HSD11B1 (0.57) HSD11B1LMNAALDH1A1TP53TSHR
SCHEMBL3000390 0.80 HSD11B1 (0.51) HSD11B1LMNAALDH1A1TP53TSHR
SCHEMBL2989132 0.79 HSD11B1 (0.62) HSD11B1LMNAALDH1A1TP53TSHR
SCHEMBL4517793 0.79 HSD11B1 (0.52) HSD11B1LMNAALDH1A1TSHRCYP3A4
SCHEMBL4513213 0.79 HSD11B1 (0.52) HSD11B1LMNAALDH1A1TP53TSHR
SCHEMBL4696851 0.78 HSD11B1 (0.46) HSD11B1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL4518087 0.76 HSD11B1 (0.52) HSD11B1LMNAALDH1A1TSHRCYP3A4
SCHEMBL2994616 0.76 HSD11B1 (0.54) HSD11B1ALDH1A1TP53TSHRKMT2A
SCHEMBL4512444 0.76 HSD11B1 (0.54) HSD11B1LMNAALDH1A1

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 1/4885LMNA 2846/4885ALDH1A1 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.