SCHEMBL2304431

SCHEMBL2304431

N#Cc1cccc(-c2csc(C3CCCCN3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.51
CPT1A P50416 2/20 0.51
CPT1B Q92523 1/20 0.51
USP30 Q70CQ3 2/20 0.45
UCHL1 P09936 1/20 0.45
IDO1 P14902 3/20 0.41
EIF4E P06730 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
XDH P47989 1/20 0.40
IKBKB O14920 1/20 0.39
MAOB P27338 1/20 0.39
KDM1A O60341 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL2304427 1.00 CPT2 (0.51) CPT2CPT1ACPT1BUSP30UCHL1
SCHEMBL2308250 0.85 GAA (0.50) CPT2CPT1ABAZ2AMAOB
SCHEMBL2308254 0.85 GAA (0.50) CPT2CPT1ABAZ2AMAOB
SCHEMBL2308432 0.82 HPGDS (0.49) CPT1ACYP1A2BAZ2AMAOB
SCHEMBL2308438 0.82 HPGDS (0.49) CPT1ACYP1A2BAZ2AMAOB
SCHEMBL4260528 0.81 HPGDS (0.58) CPT2CPT1ACPT1BUSP30UCHL1
SCHEMBL2306322 0.80 CPT1A (0.52) CPT2CPT1ACPT1BBAZ2A
SCHEMBL2306326 0.80 CPT1A (0.52) CPT2CPT1ACPT1BBAZ2A
Bromide SCHEMBL2970790 0.80 HPGDS (0.57) CPT2CPT1ACPT1BUSP30UCHL1
SCHEMBL4518898 0.78 HPGDS (0.50) CPT1ACYP1A2BAZ2A

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-8039487-B2 Piperidine-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
EP-2155738-B1 PIPERIDINE-AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-03 EP disclosed
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 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-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 CPT2 3/4885CPT1A 1/4885CPT1B 2/4885

“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.