SCHEMBL5567253

SCHEMBL5567253

CCCCCC(=O)N[C@H](C#N)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.64
FAAH O00519 2/20 0.54
EPHX2 P34913 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CTSH P09668 1/20 0.51
CYP2D6 P10635 1/20 0.51
CTSK P43235 1/20 0.51
PSMB5 P28074 2/20 0.51
ALDH1A1 P00352 1/20 0.50
ASAH1 Q13510 1/20 0.50
ACER2 Q5QJU3 1/20 0.50
CTSB P07858 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL5567254 1.00 CTSC (0.64) CTSCFAAHEPHX2MEN1KMT2A
SCHEMBL5564837 0.96 CTSC (0.66) CTSCFAAHCYP1A2CYP3A4CTSH
SCHEMBL5564840 0.96 CTSC (0.66) CTSCFAAHCYP1A2CYP3A4CTSH
SCHEMBL8530955 0.88 FAAH (0.55) CTSCFAAHEPHX2MEN1KMT2A
SCHEMBL10779010 0.86 FAAH (0.57) FAAHEPHX2MEN1KMT2APSMB5
SCHEMBL10894362 0.86 FAAH (0.57) FAAHEPHX2MEN1KMT2APSMB5
SCHEMBL10887549 0.86 FAAH (0.57) FAAHEPHX2MEN1KMT2APSMB5
SCHEMBL10890368 0.86 FAAH (0.57) FAAHEPHX2MEN1KMT2APSMB5
SCHEMBL10889442 0.86 FAAH (0.57) FAAHEPHX2MEN1KMT2APSMB5
SCHEMBL10889436 0.86 FAAH (0.57) FAAHEPHX2MEN1KMT2APSMB5

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-7183443-B2 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2007-02-27 US disclosed
US-20050215822-A1 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2005-09-29 US disclosed
EP-1492760-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS DSM IP Assets B.V. (NL) 2005-01-05 EP disclosed
WO-2003087033-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-10-23 WO disclosed
EP-1352894-A1 Process for the preparation of enantiomerically enriched compounds DSM IP Assets B.V. (NL) 2003-10-15 EP 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-20050215822-A1 Process for the preparation of enantiomerically enriched compounds ADH1C, ADH1A, ADH5 CTSC 899/4885FAAH 1086/4885EPHX2 2073/4885

“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.