SCHEMBL3591152

SCHEMBL3591152

CC1CCC(C[C@H](N)CN(C)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.41
ENPEP Q07075 2/20 0.41
GPR88 Q9GZN0 1/20 0.36
ALOX5 P09917 1/20 0.31

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
SCHEMBL3591156 1.00 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3608680 0.87 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3588545 0.87 ANPEP (0.40) ANPEPENPEPGPR88ALOX5
SCHEMBL3614943 0.87 ANPEP (0.40) ANPEPENPEPGPR88ALOX5
SCHEMBL3588546 0.87 ANPEP (0.40) ANPEPENPEPGPR88ALOX5
SCHEMBL3604142 0.86 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3597706 0.86 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3597709 0.86 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3607510 0.85 GPR88 (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3338710 0.85 GPR88 (0.41) ANPEPENPEPGPR88ALOX5

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-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 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 (2 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 ANPEP 7/4885ENPEP 9/4885GPR88 4464/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE ANPEP 12/4885ENPEP 8/4885GPR88 1869/4885

“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.