SCHEMBL3616993

SCHEMBL3616993

NC(=O)CCCC(O)(c1cccc(Cl)c1)C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.42
CHEK1 O14757 4/20 0.41
CDK2AP1 O14519 1/20 0.41
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41

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
SCHEMBL9996630 1.00 REN (0.42) RENCHEK1CDK2AP1SCN5ASCN9A
SCHEMBL28779405 0.90 REN (0.39) RENCHEK1CDK2AP1SCN5ASCN9A
SCHEMBL4752797 0.88 KIF11 (0.46) RENCHEK1CDK2AP1
SCHEMBL3605975 0.88 REN (0.45) REN
SCHEMBL28787499 0.88 REN (0.53) RENCHEK1CDK2AP1SCN5ASCN9A
SCHEMBL3605969 0.88 REN (0.45) REN
SCHEMBL3610057 0.87 REN (0.42) RENSCN5ASCN9A
SCHEMBL3613977 0.87 REN (0.42) RENSCN5ASCN9A
SCHEMBL1866028 0.86 REN (0.46) REN
SCHEMBL1866030 0.86 REN (0.46) REN

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
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
CN-101356156-B Aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2012-12-05 CN disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
CN-101356156-A Aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2009-01-28 CN 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 REN 180/4885CHEK1 4019/4885CDK2AP1 1134/4885

“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.