SCHEMBL2308250

SCHEMBL2308250

N#Cc1ccc(-c2csc([C@H]3CCCCN3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.48
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
MAOA P21397 14/20 0.47
MAOB P27338 14/20 0.47
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43

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
SCHEMBL2308254 1.00 GAA (0.50) GAAKDM4ECPT2CPT1AMAOA
SCHEMBL2304431 0.85 CPT2 (0.51) CPT2CPT1AMAOBBAZ2A
SCHEMBL2304427 0.85 CPT2 (0.51) CPT2CPT1AMAOBBAZ2A
SCHEMBL2308134 0.84 ALDH1A1 (0.48) GAAKDM4ECPT1AMAOAMAOB
SCHEMBL2307050 0.84 BAZ2A (0.47) GAAKDM4ECPT1ASMN1; SMN2BAZ2A
SCHEMBL2307046 0.84 BAZ2A (0.47) GAAKDM4ECPT1ASMN1; SMN2BAZ2A
SCHEMBL2308127 0.84 ALDH1A1 (0.48) GAAKDM4ECPT1AMAOAMAOB
SCHEMBL2308432 0.83 HPGDS (0.49) KDM4ECPT1AMAOAMAOBSMN1; SMN2
SCHEMBL2308428 0.83 BAZ2A (0.46) KDM4ECPT2CPT1ASMN1; SMN2BAZ2A
SCHEMBL2308438 0.83 HPGDS (0.49) KDM4ECPT1AMAOAMAOBSMN1; SMN2

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 3 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
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US 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 GAA 477/4885KDM4E 1573/4885CPT2 3/4885

“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.