SCHEMBL4514533

SCHEMBL4514533

COc1ccccc1CC1CCN(C(C)(C)c2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CMA1 P23946 1/20 0.39
CYP24A1 Q07973 3/20 0.38
CYP27A1 Q02318 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP26A1 O43174 1/20 0.38

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
SCHEMBL4503965 0.84 CYP26A1 (0.45) SMN1; SMN2ALDH1A1CYP24A1MEN1KMT2A
SCHEMBL4500800 0.82 CYP27A1 (0.48) ALDH1A1CYP24A1CYP27A1MEN1KMT2A
SCHEMBL4512302 0.79 ROCK2 (0.42) ALDH1A1SIGMAR1
SCHEMBL4503420 0.76 HTR2A (0.35) CYP2D6SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL14177629 0.76 OPRK1 (0.50) CYP2D6USP2HSD17B10SMN1; SMN2CMA1
SCHEMBL14177606 0.74 KCNH2 (0.53) CYP2D6CYP24A1SIGMAR1
SCHEMBL14177611 0.74 CYP2D6 (0.47) CYP2D6
SCHEMBL4500218 0.74 CYP2D6 (0.47) CYP2D6
SCHEMBL4518872 0.74 CYP2D6 (0.47) CYP2D6USP2HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL14177570 0.74 CYP2D6 (0.47) CYP2D6

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 5 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
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 CYP2D6 469/4885USP2 3539/4885HSD17B10 20/4885

“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.