SCHEMBL4510846

SCHEMBL4510846

CCOC(=O)N1CCC(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL4505857 0.86 HSD11B1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL13674506 0.84 KDM4E (0.44) L3MBTL1ALDH1A1TDP1ALOX15SMN1; SMN2
SCHEMBL13674504 0.83 ESR2 (0.43) L3MBTL1ALDH1A1TDP1ALOX15SMN1; SMN2
SCHEMBL4522638 0.82 HSD11B1 (0.46) ALDH1A1TDP1SMN1; SMN2KMT2ACHRM3
SCHEMBL4506572 0.81 HSD11B1 (0.45) L3MBTL1ALDH1A1TDP1ALOX15SMN1; SMN2
SCHEMBL4515016 0.80 HSD11B1 (0.43) L3MBTL1ALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL2989117 0.79 HSD11B1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL2989122 0.79 HSD11B1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL4514552 0.79 HSD11B1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3553955 0.79 HSD11B1 (0.64) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1

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 L3MBTL1 3517/4885ALDH1A1 51/4885TDP1 1899/4885

“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.