SCHEMBL3616649

SCHEMBL3616649

CCOC(=O)CCOC(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.52
CYP3A4 P08684 3/20 0.48
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL13502902 1.00 REN (0.52) RENCYP3A4TP53POLBKDM4E
SCHEMBL3616647 1.00 REN (0.52) RENCYP3A4TP53POLBKDM4E
SCHEMBL3611251 0.92 REN (0.49) RENCYP3A4TP53POLB
SCHEMBL9914198 0.92 REN (0.49) RENCYP3A4TP53POLB
SCHEMBL969063 0.92 REN (0.49) RENCYP3A4TP53POLB
SCHEMBL969066 0.92 REN (0.49) RENCYP3A4TP53POLB
SCHEMBL969064 0.92 REN (0.49) RENCYP3A4TP53POLB
SCHEMBL12090947 0.90 REN (0.54) RENCYP3A4TP53POLB
SCHEMBL2326048 0.89 REN (0.57) RENCYP3A4
SCHEMBL2326044 0.89 REN (0.57) RENCYP3A4

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 8 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
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US 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
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 REN 180/4885CYP3A4 2510/4885TP53 1007/4885

“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.