SCHEMBL3609019

SCHEMBL3609019

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.51
CYP3A4 P08684 3/20 0.49
ANO1 Q5XXA6 1/20 0.44
USP30 Q70CQ3 2/20 0.42
GPR119 Q8TDV5 3/20 0.42
STS P08842 1/20 0.41
AHCY P23526 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
SCHEMBL3609018 1.00 REN (0.51) RENCYP3A4ANO1USP30GPR119
SCHEMBL971156 0.88 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL9914197 0.88 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL971157 0.88 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL971155 0.88 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL3611251 0.87 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL9914198 0.87 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL969063 0.87 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL969066 0.87 REN (0.49) RENCYP3A4ANO1USP30STS
SCHEMBL969064 0.87 REN (0.49) RENCYP3A4ANO1USP30STS

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 2510/4885ANO1 2902/4885

“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.