SCHEMBL4523807

SCHEMBL4523807

N#CCOc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
FFAR1 O14842 5/20 0.34
HPGD P15428 1/20 0.34
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ROCK2 O75116 1/20 0.31
TP53 P04637 1/20 0.31
PPARG P37231 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
SCHEMBL4514529 0.90 HSD11B1 (0.46) HSD11B1FFAR1HPGDOPRM1OPRD1
SCHEMBL4513450 0.85 HSD11B1 (0.48) HSD11B1HPGDTRPV4MAOAMAOB
SCHEMBL4517793 0.85 HSD11B1 (0.52) HSD11B1OPRM1OPRD1OPRK1
SCHEMBL13674511 0.84 HSD11B1 (0.47) HSD11B1FFAR1HPGDHCRTR1HCRTR2
SCHEMBL4519244 0.84 HSD11B1 (0.47) HSD11B1FFAR1HPGDOPRM1OPRD1
SCHEMBL4519067 0.84 HSD11B1 (0.50) HSD11B1FFAR1PPARG
SCHEMBL4525800 0.84 HSD11B1 (0.47) HSD11B1FFAR1HPGDHCRTR1HCRTR2
SCHEMBL4526922 0.84 HSD11B1 (0.47) HSD11B1FFAR1HPGDPPARG
SCHEMBL4516252 0.84 HSD11B1 (0.55) HSD11B1FFAR1HPGDHCRTR1HCRTR2
SCHEMBL4514386 0.84 HSD11B1 (0.46) HSD11B1HPGDHCRTR1HCRTR2OPRM1

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 1/4885FFAR1 326/4885HPGD 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.