SCHEMBL4513830

SCHEMBL4513830

O=C1C(Cc2c(Cl)cccc2Cl)CCN1C1CCC2(CC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
PARP1 P09874 1/20 0.39
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 7/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
C5AR1 P21730 2/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4500714 0.87 HSD11B1 (0.45) HSD11B1PARP1CYP2C19ALDH1A1MEN1
SCHEMBL4526228 0.84 HSD11B1 (0.48) HSD11B1PARP1ALDH1A1MEN1KMT2A
SCHEMBL474641 0.84 ALDH1A1 (0.38) HSD11B1CYP2C19ALDH1A1MEN1CYP3A4
SCHEMBL4509440 0.82 HSD11B1 (0.44) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2209243 0.82 ALDH1A1 (0.46) HSD11B1CYP2C19ALDH1A1MEN1CYP3A4
SCHEMBL3553955 0.81 HSD11B1 (0.64) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2235214 0.81 ATM (0.42) HSD11B1ALDH1A1TSHRATMPOLB
SCHEMBL4516845 0.81 HSD11B1 (0.43) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4512741 0.80 HSD11B1 (0.49) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2206030 0.80 HSD11B1 (0.39) HSD11B1PARP1CYP2C19ALDH1A1KMT2A

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 1/4885PARP1 2840/4885CYP2C19 304/4885

“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.