SCHEMBL5564840

SCHEMBL5564840

CCCCC(=O)NC(C#N)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 8/20 0.66
CTSB P07858 2/20 0.53
CTSK P43235 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CTSH P09668 1/20 0.52
CYP2D6 P10635 1/20 0.52
CTSL P07711 2/20 0.50
PSMB5 P28074 1/20 0.50
FAAH O00519 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 1/20 0.47

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
SCHEMBL5564837 1.00 CTSC (0.66) CTSCCTSBCTSKCYP1A2CYP3A4
SCHEMBL5567253 0.96 CTSC (0.64) CTSCCTSBCTSKCYP1A2CYP3A4
SCHEMBL5567254 0.96 CTSC (0.64) CTSCCTSBCTSKCYP1A2CYP3A4
SCHEMBL7872411 0.84 CTSC (0.71) CTSCCTSKCYP1A2CYP3A4CTSH
SCHEMBL8530955 0.83 FAAH (0.55) CTSCPSMB5FAAHSMN1; SMN2
SCHEMBL10889436 0.82 FAAH (0.57) PSMB5FAAH
SCHEMBL10890368 0.82 FAAH (0.57) PSMB5FAAH
SCHEMBL10889905 0.82 FAAH (0.57) PSMB5FAAH
SCHEMBL10889442 0.82 FAAH (0.57) PSMB5FAAH
SCHEMBL10887549 0.82 FAAH (0.57) PSMB5FAAH

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 899/4885CTSB 3846/4885CTSK 3479/4885

“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.