SCHEMBL2306940

SCHEMBL2306940

Clc1ccc(Cc2nc(C3CCCCN3)cs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.46
LTA4H P09960 3/20 0.44
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2306933 1.00 CPT1A (0.46) CPT1ALTA4HLMNAKMT2ASMN1; SMN2
SCHEMBL5456035 0.79 RAB9A (0.44) CPT1ALMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL27780453 0.72 CPT1A (0.59) CPT1ALMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2308127 0.69 ALDH1A1 (0.48) CPT1ALTA4HLMNAKMT2ASMN1; SMN2
SCHEMBL2308134 0.69 ALDH1A1 (0.48) CPT1ALTA4HLMNAKMT2ASMN1; SMN2
SCHEMBL2306066 0.69 SMN1; SMN2 (0.44) CPT1ALMNAKMT2ASMN1; SMN2RAB9A
SCHEMBL2306060 0.69 SMN1; SMN2 (0.44) CPT1ALMNAKMT2ASMN1; SMN2RAB9A
SCHEMBL8222117 0.68 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL27923748 0.68 HDAC1 (0.47) LMNAKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL13374881 0.68 LMNA (0.46) LTA4HLMNAKMT2ASMN1; SMN2ALDH1A1

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
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO 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 CPT1A 1/4885LTA4H 1352/4885LMNA 2012/4885

“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.