SCHEMBL3607156

SCHEMBL3607156

CC(C)CC1CN(C(=O)O)CC1N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.33
MME P08473 1/20 0.33
POLB P06746 1/20 0.33
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL1924790 0.81 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL1924792 0.81 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL9928853 0.80 MEN1 (0.37) TLR2MMEPOLBSMN1; SMN2MEN1
SCHEMBL9928854 0.80 MEN1 (0.37) TLR2MMEPOLBSMN1; SMN2MEN1
SCHEMBL26615047 0.77 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL5773307 0.77 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL1586267 0.77 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL26614925 0.77 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL2873603 0.77 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL2873601 0.77 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13

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 5 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
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 (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 TLR2 4604/4885MME 27/4885POLB 3415/4885

“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.