SCHEMBL7570386

SCHEMBL7570386

C[C@]1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(C[C@H]2CCN(C(=O)NCCc3ccccc3)C2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.44
EPHX1 P07099 2/20 0.43
EPHX2 P34913 2/20 0.43
SCN5A Q14524 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
CHRM4 P08173 1/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
MC4R P32245 1/20 0.37
MAPT P10636 3/20 0.37
CCR5 P51681 1/20 0.37
TP53 P04637 2/20 0.36
ATM Q13315 1/20 0.36
MCHR1 Q99705 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL8211637 1.00 FASN (0.44) FASNEPHX1EPHX2SCN5AL3MBTL1
SCHEMBL12174301 1.00 FASN (0.44) FASNEPHX1EPHX2SCN5AL3MBTL1
SCHEMBL7601383 0.94 EPHX1 (0.49) FASNEPHX1EPHX2SCN5ACHRM4
SCHEMBL13054310 0.94 EPHX1 (0.49) FASNEPHX1EPHX2SCN5ACHRM4
SCHEMBL7575761 0.90 FASN (0.46) FASNEPHX1EPHX2SCN5ACTSD
SCHEMBL7565368 0.89 FASN (0.46) FASNEPHX1EPHX2SCN5AL3MBTL1
SCHEMBL8210288 0.89 FASN (0.46) FASNEPHX1EPHX2SCN5AL3MBTL1
SCHEMBL8201211 0.88 FASN (0.46) FASNEPHX1EPHX2SCN5ACTSD
SCHEMBL2967868 0.88 FASN (0.46) FASNEPHX1EPHX2SCN5ACTSD
SCHEMBL2967863 0.88 FASN (0.46) FASNEPHX1EPHX2SCN5ACTSD

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-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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 (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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 FASN 3111/4885EPHX1 765/4885EPHX2 821/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D FASN 3597/4885EPHX1 961/4885EPHX2 1789/4885

“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.