SCHEMBL2307050

SCHEMBL2307050

Oc1ccc(-c2csc(C3CCCCN3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.47
LTA4H P09960 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALOX15 P16050 3/20 0.41
TSHR P16473 3/20 0.41
AMY1A P0DUB6 3/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2307046 1.00 BAZ2A (0.47) BAZ2ALTA4HMKNK1MKNK2CPT1A
SCHEMBL2308127 0.86 ALDH1A1 (0.48) BAZ2ALTA4HCPT1AMAPTSMN1; SMN2
SCHEMBL2308134 0.86 ALDH1A1 (0.48) BAZ2ALTA4HCPT1AMAPTSMN1; SMN2
SCHEMBL2308432 0.86 HPGDS (0.49) BAZ2ACPT1AMAPTSMN1; SMN2ALOX15
SCHEMBL2308438 0.86 HPGDS (0.49) BAZ2ACPT1AMAPTSMN1; SMN2ALOX15
SCHEMBL2308428 0.86 BAZ2A (0.46) BAZ2ACPT1ASMN1; SMN2LMNACYP19A1
SCHEMBL2308422 0.86 BAZ2A (0.46) BAZ2ACPT1ASMN1; SMN2LMNACYP19A1
SCHEMBL2303965 0.84 KDM4E (0.51) BAZ2ACPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL2303971 0.84 KDM4E (0.51) BAZ2ACPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL2308254 0.84 GAA (0.50) BAZ2ACPT1ASMN1; SMN2GAAKDM4E

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 BAZ2A 2602/4885LTA4H 1352/4885MKNK1 4511/4885

“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.