SCHEMBL7781256

SCHEMBL7781256

COc1cccc(CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
C3AR1 Q16581 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7781243 1.00 OPRK1 (0.44) OPRK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL7788436 0.82 FOLH1 (0.56) KMT2AMEN1ALDH1A1C3AR1
SCHEMBL7790273 0.81 FOLH1 (0.45) CTSGCMA1C3AR1
SCHEMBL7790264 0.81 FOLH1 (0.45) CTSGCMA1C3AR1
SCHEMBL7786368 0.79 FOLH1 (0.49) OPRK1ALDH1A1C3AR1
SCHEMBL7786354 0.79 FOLH1 (0.49) OPRK1ALDH1A1C3AR1
SCHEMBL7788448 0.78 C3AR1 (0.44) C3AR1
SCHEMBL7788437 0.78 C3AR1 (0.44) C3AR1
SCHEMBL4600052 0.76 CHRM2 (0.52) OPRK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL4600047 0.76 CHRM2 (0.52) OPRK1KMT2AMEN1KDM4EALDH1A1

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
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP claimed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO claimed
US-20010056185-A1 C3A receptor ligands LEE DENNIS (US) 2001-12-27 US disclosed
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO 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-20010056185-A1 C3A receptor ligands C3AR1, C5AR1, C5AR2 OPRK1 1179/4885KMT2A 4425/4885MEN1 3099/4885

“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.