SCHEMBL4970890

SCHEMBL4970890

CN(C[C@@H](N)[C@@H](O)C1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.37
HTR2C P28335 4/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
EPHX1 P07099 4/20 0.35
METAP2 P50579 3/20 0.34
GAA P10253 1/20 0.33
METAP1 P53582 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL1857659 1.00 SLC6A4 (0.37) SLC6A4HTR2CSLC6A2SLC6A3EPHX1
SCHEMBL4970893 1.00 SLC6A4 (0.37) SLC6A4HTR2CSLC6A2SLC6A3EPHX1
SCHEMBL1863892 0.99 SLC6A4 (0.35) SLC6A4HTR2CSLC6A2SLC6A3EPHX1
SCHEMBL8233820 0.81 HTR2C (0.36) SLC6A4HTR2CEPHX1
SCHEMBL3603986 0.80 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3EPHX1METAP2
SCHEMBL3595027 0.80 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3EPHX1METAP2
SCHEMBL1870673 0.78 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3EPHX1METAP2
SCHEMBL1863285 0.77 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3METAP2
SCHEMBL1859646 0.77 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3METAP2
SCHEMBL3770843 0.77 HTR2C (0.37) SLC6A4HTR2CEPHX1GAAHDAC4

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 7 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
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 SLC6A4 529/4885HTR2C 3907/4885SLC6A2 467/4885

“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.