SCHEMBL3614943

SCHEMBL3614943

CN(CC(N)CC1CCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.40
ENPEP Q07075 2/20 0.40
GPR88 Q9GZN0 1/20 0.39
DPP4 P27487 2/20 0.39
ALOX5 P09917 2/20 0.38
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CTSK P43235 4/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL3588546 1.00 ANPEP (0.40) ANPEPENPEPGPR88DPP4ALOX5
SCHEMBL3588545 1.00 ANPEP (0.40) ANPEPENPEPGPR88DPP4ALOX5
SCHEMBL3338713 0.98 GPR88 (0.41) ANPEPENPEPGPR88DPP4ALOX5
SCHEMBL3607510 0.98 GPR88 (0.41) ANPEPENPEPGPR88DPP4ALOX5
SCHEMBL3338710 0.98 GPR88 (0.41) ANPEPENPEPGPR88DPP4ALOX5
SCHEMBL3591152 0.87 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3591156 0.87 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3608680 0.87 ANPEP (0.41) ANPEPENPEPGPR88ALOX5
SCHEMBL3605283 0.87 ANPEP (0.34) ANPEPENPEPGPR88DPP4CTSL
SCHEMBL3605279 0.87 ANPEP (0.34) ANPEPENPEPGPR88DPP4CTSL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
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
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

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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ANPEP 3650/4885ENPEP 4265/4885GPR88 2015/4885

“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.