SCHEMBL3489301

SCHEMBL3489301

COc1ccc(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)O)C2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL13434315 0.88 PDE4B (0.44) HSD11B1PDE4BPDE4DKMT2AMEN1
SCHEMBL3487423 0.84 REN (0.53)
SCHEMBL3488892 0.84 REN (0.53)
SCHEMBL3488928 0.83 NPC1 (0.50) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL3487167 0.82 REN (0.43)
SCHEMBL3488451 0.82 POLB (0.38) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL3487502 0.81 REN (0.43) PDE4BPDE4DPOLBHPGDHSD17B10
SCHEMBL2243465 0.80 HTT (0.41) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3487243 0.79 REN (0.46) L3MBTL1POLBHPGDHSD17B10
SCHEMBL3488571 0.79 REN (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 HSD11B1 42/4885PDE4B 1175/4885PDE4D 1875/4885

“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.