SCHEMBL4517200

SCHEMBL4517200

CNc1ccc(CC2CCN(C34CC5CC(CC(C5)C3)C4)C2=O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
EPHX2 P34913 3/20 0.36
LMNA P02545 3/20 0.33
ROCK2 O75116 1/20 0.32
SCN9A Q15858 4/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 1/20 0.30
HSD11B1 P28845 1/20 0.30
GAA P10253 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
SCHEMBL14365058 0.89 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2EPHX2HSD11B1
SCHEMBL14365227 0.89 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2EPHX2HSD11B1
SCHEMBL5132089 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2EPHX2LMNAROCK2
SCHEMBL4506472 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL4515192 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2ROCK2SCN9AMEN1
SCHEMBL4508244 0.79 MLNR (0.34) ALDH1A1SMN1; SMN2LMNASCN9AMEN1
SCHEMBL13674467 0.75 BRD4 (0.33) ALDH1A1SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL5127854 0.75 P2RX7 (0.38) ALDH1A1SMN1; SMN2EPHX2LMNAHTT
SCHEMBL4514220 0.75 HSD11B1 (0.51) ALDH1A1SMN1; SMN2EPHX2LMNAHTT
SCHEMBL4507429 0.75 EPHX2 (0.37) ALDH1A1SMN1; SMN2EPHX2ROCK2NPSR1

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 4487/4885EPHX2 670/4885

“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.