SCHEMBL4456080

SCHEMBL4456080

CNC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 2/20 0.41
ADAM17 P78536 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
HPGDS O60760 1/20 0.38
HDAC1 Q13547 1/20 0.38
CTSB P07858 1/20 0.37

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
SCHEMBL4456084 1.00 DGAT1 (0.43) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL4448639 0.91 CTSL (0.38) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL4448633 0.91 CTSL (0.38) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL4445188 0.89 BRAF (0.46) CTSL
SCHEMBL4445193 0.89 BRAF (0.46) CTSL
SCHEMBL4446922 0.88 CTSL (0.39) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL4446927 0.88 CTSL (0.39) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL4448518 0.86 L3MBTL1 (0.54) L3MBTL1ADAM17NPC1ALDH1A1LMNA
SCHEMBL4448522 0.86 L3MBTL1 (0.54) L3MBTL1ADAM17NPC1ALDH1A1LMNA
SCHEMBL4445027 0.81 HPGDS (0.59) L3MBTL1NPC1ALDH1A1LMNAHPGDS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I DGAT1 4557/4885PRSS1 2718/4885CTSG 2094/4885

“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.