SCHEMBL13675619

SCHEMBL13675619

CC=C1CCC(N2CCC(Cc3c(Cl)cc(OC)cc3Cl)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CCR6 P51684 1/20 0.32
CYP24A1 Q07973 2/20 0.32
CYP19A1 P11511 2/20 0.32
CYP26A1 O43174 1/20 0.32
CYP27A1 Q02318 1/20 0.32
CRHR1 P34998 1/20 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
SCHEMBL474782 0.89 HSD11B1 (0.39) HSD11B1HTR2AHTR2CHTR2BKDM4E
SCHEMBL208406 0.85 HSD11B1 (0.51) HSD11B1HTR2AHTR2CHTR2BKDM4E
SCHEMBL474859 0.83 HSD11B1 (0.38) HSD11B1HTR2AHTR2CHTR2BKDM4E
SCHEMBL474858 0.83 HSD11B1 (0.38) HSD11B1HTR2AHTR2CHTR2BKDM4E
SCHEMBL2994422 0.83 HSD11B1 (0.38) HSD11B1HTR2AHTR2CHTR2BOPRM1
SCHEMBL2997454 0.83 HSD11B1 (0.38) HSD11B1HTR2AHTR2CHTR2BOPRM1
SCHEMBL10072278 0.82 HTR2C (0.34) HSD11B1HTR2AHTR2CHTR2BKDM4E
SCHEMBL4515440 0.80 FFAR4 (0.37) HSD11B1HTR2AHTR2CHTR2BOPRM1
SCHEMBL2210049 0.79 HSP90AA1 (0.32) HSD11B1HTR2AHTR2CHTR2BKDM4E
SCHEMBL2210048 0.79 HSP90AA1 (0.32) HSD11B1HTR2AHTR2CHTR2BKDM4E

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 1 patent. 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

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 1/4885HTR2A 4228/4885HTR2C 4208/4885

“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.