SCHEMBL3585002

SCHEMBL3585002

C[C@H](NC(=O)O)[C@H](N)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.45
METAP1 P53582 3/20 0.45
REN P00797 2/20 0.45
LTA4H P09960 1/20 0.43
CPB2 Q96IY4 3/20 0.41
CTSK P43235 2/20 0.40
CYP2D6 P10635 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
SCHEMBL3599849 1.00 METAP2 (0.45) METAP2METAP1RENLTA4HCPB2
SCHEMBL5513761 1.00 METAP2 (0.45) METAP2METAP1RENLTA4HCPB2
SCHEMBL3584999 1.00 METAP2 (0.45) METAP2METAP1RENLTA4HCPB2
SCHEMBL3585005 1.00 METAP2 (0.45) METAP2METAP1RENLTA4HCPB2
SCHEMBL3599844 1.00 METAP2 (0.45) METAP2METAP1RENLTA4HCPB2
SCHEMBL16165520 0.91 ANPEP (0.39) METAP2METAP1RENLTA4HCPB2
SCHEMBL16165522 0.91 ANPEP (0.39) METAP2METAP1RENLTA4HCPB2
SCHEMBL3616178 0.81 METAP2 (0.46) METAP2METAP1RENLTA4HCPB2
SCHEMBL3616181 0.81 METAP2 (0.46) METAP2METAP1RENLTA4HCPB2
SCHEMBL3603322 0.80 LTA4H (0.43) METAP2METAP1RENLTA4HCPB2

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 10 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-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO 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 METAP2 45/4885METAP1 25/4885REN 180/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE METAP2 44/4885METAP1 13/4885REN 298/4885

“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.