SCHEMBL5264737

SCHEMBL5264737

CCC(c1ccc(Nc2nccc3cnccc23)cc1)C(N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDR P35968 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ROCK2 O75116 5/20 0.36
ROCK1 Q13464 2/20 0.36
CSNK2A1 P68400 3/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5149503 1.00 TRPV1 (0.37) TRPV1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5147750 0.93 RAB9A (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL3835600 0.82 CSNK2A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2980728 0.82 CSNK2A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL7168182 0.81 ROCK2 (0.38) RAB9ANPC1SMN1; SMN2KDRKMT2A
SCHEMBL7168174 0.81 ROCK2 (0.38) RAB9ANPC1SMN1; SMN2KDRKMT2A
SCHEMBL5147804 0.80 EGFR (0.38) TRPV1KDRCSNK2A1CSNK2A2CSNK2B
SCHEMBL5149368 0.79 ITGB1 (0.34) TRPV1RAB9ANPC1SMN1; SMN2KDR
SCHEMBL2986240 0.78 SLC7A5 (0.42) TRPV1ROCK2ROCK1HDAC3HDAC1
SCHEMBL7105541 0.78 SLC7A5 (0.42) TRPV1ROCK2ROCK1HDAC3HDAC1

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
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
EP-1332132-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2003-08-06 EP disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US disclosed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 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 (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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 TRPV1 2087/4885RAB9A 3312/4885NPC1 3053/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 TRPV1 2250/4885RAB9A 3217/4885NPC1 2845/4885

“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.