SCHEMBL3616233

SCHEMBL3616233

NN(CCCC1CCOCC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NAAA Q02083 1/20 0.35
KDM5A P29375 4/20 0.34
PHF8 Q9UPP1 4/20 0.34
KDM2A Q9Y2K7 4/20 0.34
KDM4C Q9H3R0 3/20 0.34
KDM7A Q6ZMT4 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4A O75164 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL3599049 0.82 KDM5A (0.46) HPGDKDM5APHF8KDM2AKDM4C
SCHEMBL3588549 0.79 KDM5A (0.47) NAAAKDM5APHF8KDM2AKDM4C
SCHEMBL3597712 0.78 KDM5A (0.40) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL3338716 0.77 SIGMAR1 (0.50) HPGDNAAAKDM5APHF8KDM2A
SCHEMBL3591158 0.75 KDM5A (0.40) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL3590448 0.73 LMNA (0.41) POLBHPGDMEN1HTTKMT2A
SCHEMBL3585506 0.72 LMNA (0.37) POLBHPGDMEN1HTTKMT2A
SCHEMBL10323234 0.72 KDM5A (0.40) HPGDKDM5APHF8KDM2AKDM4C
SCHEMBL4170832 0.72 S1PR5 (0.43) POLBHPGDNAAAKDM5APHF8
SCHEMBL14321921 0.72 POLB (0.39) POLBHPGDNAAAKDM5APHF8

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 POLB 3415/4885HPGD 694/4885NAAA 191/4885

“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.