SCHEMBL3608717

SCHEMBL3608717

NC[C@H](CC1CCCCO1)NC(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
REN P00797 4/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 4/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3615904 0.81 USP2 (0.39) ALDH1A1HTTHPGDUSP2SMN1; SMN2
SCHEMBL3599903 0.81 REN (0.49) RENHTTSMN1; SMN2
SCHEMBL14987993 0.81 REN (0.49) RENHTTSMN1; SMN2
SCHEMBL1867207 0.76 CTSS (0.54) ALDH1A1RENSMN1; SMN2
SCHEMBL2158933 0.74 KDM4E (0.58) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL8241092 0.73 CTSS (0.40) HTTUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL21640494 0.68 USP2 (0.54) KDM4EALDH1A1LMNAHTTHPGD
SCHEMBL5509776 0.68 HTT (0.45) RENHTTSMN1; SMN2
SCHEMBL3607729 0.68 USP2 (0.40) ALDH1A1HTTHPGDUSP2SMN1; SMN2
SCHEMBL5505421 0.68 HTT (0.45) RENHTTSMN1; SMN2

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 2 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-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US 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 KDM4E 2286/4885ALDH1A1 1416/4885LMNA 4613/4885

“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.