SCHEMBL6201170

SCHEMBL6201170

CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.58
HSD17B10 Q99714 1/20 0.54
KLK7 P49862 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
UCHL1 P09936 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
PRCP P42785 1/20 0.49

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
SCHEMBL6201175 1.00 PREP (0.58) PREPHSD17B10KLK7NPSR1TSHR
SCHEMBL2960273 0.95 PREP (0.57) PREPHSD17B10KLK7NPSR1
SCHEMBL13780263 0.94 HSD17B10 (0.58) PREPHSD17B10KLK7NPSR1UCHL1
SCHEMBL4974458 0.91 HSD17B10 (0.55) PREPHSD17B10KLK7UCHL1
SCHEMBL8750859 0.89 PREP (0.68) PREPHSD17B10KLK7NPSR1TSHR
SCHEMBL8750947 0.89 PREP (0.68) PREPHSD17B10KLK7NPSR1TSHR
SCHEMBL8750854 0.89 PREP (0.68) PREPHSD17B10KLK7NPSR1TSHR
SCHEMBL11262912 0.88 PREP (0.69) PREPHSD17B10KLK7NPSR1TSHR
SCHEMBL11262909 0.88 PREP (0.69) PREPHSD17B10KLK7NPSR1TSHR
SCHEMBL488744 0.87 PREP (0.68) PREPKLK7NPSR1TSHRL3MBTL1

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
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US 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-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR PREP 2725/4885HSD17B10 1180/4885KLK7 892/4885

“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.