SCHEMBL4506572

SCHEMBL4506572

COC1CCC(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 1/20 0.33
ROCK2 O75116 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32

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
SCHEMBL208220 0.86 HSD11B1 (0.38) HSD11B1GPBAR1
SCHEMBL208221 0.86 HSD11B1 (0.38) HSD11B1GPBAR1
SCHEMBL208219 0.86 HSD11B1 (0.38) HSD11B1GPBAR1
SCHEMBL4515016 0.85 HSD11B1 (0.43) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL2989117 0.84 HSD11B1 (0.48) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL2989122 0.84 HSD11B1 (0.48) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL4514552 0.84 HSD11B1 (0.48) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL3553955 0.83 HSD11B1 (0.64) HSD11B1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL4512811 0.83 HSD11B1 (0.45) HSD11B1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4518540 0.82 HSD11B1 (0.50) HSD11B1KDM4EKMT2AMEN1ALDH1A1

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 1/4885KDM4E 2703/4885SMN1; SMN2 4487/4885

“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.