SCHEMBL2306322

SCHEMBL2306322

O=C(O)c1cccc(-c2csc([C@H]3CCCCN3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 6/20 0.52
CPT2 P23786 5/20 0.52
BAZ2A Q9UIF9 1/20 0.46
NR1H4 Q96RI1 1/20 0.43
CPT1B Q92523 3/20 0.43
HPGDS O60760 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
CSNK2A1 P68400 3/20 0.41
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL2306326 1.00 CPT1A (0.52) CPT1ACPT2BAZ2ANR1H4CPT1B
SCHEMBL2303965 0.87 KDM4E (0.51) CPT1ACPT2BAZ2ACPT1BHPGDS
SCHEMBL2303971 0.87 KDM4E (0.51) CPT1ACPT2BAZ2ACPT1BHPGDS
SCHEMBL2308432 0.84 HPGDS (0.49) CPT1ABAZ2AHPGDSKDM4EMEN1
SCHEMBL2308438 0.84 HPGDS (0.49) CPT1ABAZ2AHPGDSKDM4EMEN1
SCHEMBL27801788 0.82 BAZ2A (0.42) CPT1ACPT2BAZ2ACPT1BHPGDS
SCHEMBL2304431 0.80 CPT2 (0.51) CPT1ACPT2BAZ2ACPT1B
SCHEMBL2304427 0.80 CPT2 (0.51) CPT1ACPT2BAZ2ACPT1B
SCHEMBL4518898 0.80 HPGDS (0.50) CPT1ABAZ2AHPGDSKDM4EMEN1
SCHEMBL4518901 0.80 HPGDS (0.50) CPT1ABAZ2AHPGDSKDM4EMEN1

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 CPT1A 1/4885CPT2 3/4885BAZ2A 2602/4885

“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.