SCHEMBL4500714

SCHEMBL4500714

O=C1C(Cc2ccccc2Cl)CCN1C1CCC2(CC1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 1/20 0.41
SLC6A4 P31645 2/20 0.39
C5AR1 P21730 2/20 0.38
CHRM3 P20309 1/20 0.38
PARP1 P09874 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 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
SCHEMBL4513830 0.87 HSD11B1 (0.43) HSD11B1ALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL2235214 0.87 ATM (0.42) HSD11B1ALDH1A1CACNB4CACNA1ACACNA1G
SCHEMBL2209243 0.86 ALDH1A1 (0.46) HSD11B1ALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL4515408 0.85 HSD11B1 (0.37) HSD11B1ALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL2210485 0.85 SMN1; SMN2 (0.41) HSD11B1ALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL4514766 0.84 HSD11B1 (0.40) HSD11B1ALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL4504660 0.83 HSD11B1 (0.36) HSD11B1ALDH1A1MEN1KMT2APOLB
SCHEMBL2206168 0.83 ALDH1A1 (0.40) HSD11B1ALDH1A1MEN1CYP3A4CYP2C19
SCHEMBL4512739 0.83 HSD11B1 (0.46) HSD11B1ALDH1A1MEN1KMT2AROCK2
SCHEMBL13674487 0.83 HSD11B1 (0.46) HSD11B1ALDH1A1MEN1KMT2AROCK2

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 51/4885MEN1 1254/4885

“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.