SCHEMBL13675470

SCHEMBL13675470

NCCOc1ccc(CC2CCN(C3CCC4(CC3)CC4)C2=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.36
HSD11B1 P28845 1/20 0.35
HPGD P15428 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 2/20 0.32
DRD3 P35462 1/20 0.32
ATF4 P18848 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
FFAR1 O14842 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL13674552 0.90 ACVRL1 (0.36) FFAR4HSD11B1HPGDOPRM1OPRD1
SCHEMBL13674511 0.89 HSD11B1 (0.47) HSD11B1HPGDKDM4EMAOAMAOB
Hydrochloric Acid SCHEMBL4522836 0.89 ACVRL1 (0.36) FFAR4HSD11B1HPGDOPRM1OPRD1
Hydrochloric Acid SCHEMBL4514348 0.88 HSD11B1 (0.46) HSD11B1HPGDKDM4EMAOAMAOB
SCHEMBL13675466 0.82 NPC1 (0.41) FFAR4HPGD
SCHEMBL13675471 0.82 SLC6A9 (0.42) FFAR4HSD11B1HTR1AALDH1A1
SCHEMBL13675463 0.82 HSD11B1 (0.37) FFAR4HSD11B1OPRM1OPRD1OPRK1
SCHEMBL4514955 0.81 S1PR1 (0.40) FFAR4HSD11B1HPGDOPRM1OPRD1
SCHEMBL13675515 0.81 MAPT (0.41) FFAR4HSD11B1
SCHEMBL4525800 0.79 HSD11B1 (0.47) HSD11B1HPGDKDM4EFFAR1ALDH1A1

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 FFAR4 1012/4885HSD11B1 1/4885HPGD 63/4885

“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.