SCHEMBL4515192

SCHEMBL4515192

CN(C)c1ccc(CC2CCN(C34CC5CC(CC(C5)C3)C4)C2=O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 1/20 0.32
POLB P06746 1/20 0.32
ROCK2 O75116 1/20 0.32
CYP26A1 O43174 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD11B1 P28845 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4508244 0.89 MLNR (0.34) ALDH1A1SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL14365052 0.89 HSD11B1 (0.31) HSD11B1
SCHEMBL5132089 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ROCK2
SCHEMBL13674467 0.85 BRD4 (0.33) ALDH1A1SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL4506472 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4517200 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2SCN9APOLBROCK2
SCHEMBL5127854 0.75 P2RX7 (0.38) ALDH1A1SMN1; SMN2HSD11B1RAB9A
SCHEMBL4509889 0.75 HSD11B1 (0.51) ALDH1A1SMN1; SMN2CYP26A1KMT2AHSD11B1
SCHEMBL4507429 0.75 EPHX2 (0.37) ALDH1A1SMN1; SMN2POLBROCK2MEN1
SCHEMBL4512825 0.74 ATM (0.41) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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 3 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
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 ALDH1A1 51/4885SMN1; SMN2 4487/4885SCN9A 1272/4885

“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.