SCHEMBL2305542

SCHEMBL2305542

COc1ccccc1-c1csc(C2CCCCN2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
VCP P55072 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
HTR3A P46098 1/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SREBF2 Q12772 1/20 0.42
AGER Q15109 1/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PTGS2 P35354 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40

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
SCHEMBL2305535 1.00 CYP19A1 (0.47) CYP19A1ATP4AATP4BVCPBAZ2A
SCHEMBL2307578 0.84 KDM4E (0.56) BAZ2AHPGDSMN1; SMN2PDCD1LG2CD274
SCHEMBL2307585 0.84 KDM4E (0.56) BAZ2AHPGDSMN1; SMN2PDCD1LG2CD274
SCHEMBL4257716 0.80 HPGDS (0.53) CYP19A1ATP4AATP4BVCPHTR3A
Bromide SCHEMBL2981940 0.79 HPGDS (0.52) CYP19A1ATP4AATP4BVCPHTR3A
SCHEMBL3637982 0.78 BAZ2A (0.45) BAZ2AHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL3637985 0.78 BAZ2A (0.45) BAZ2AHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2308432 0.78 HPGDS (0.49) BAZ2ARAB9ASMN1; SMN2NPC1TP53
SCHEMBL2308438 0.78 HPGDS (0.49) BAZ2ARAB9ASMN1; SMN2NPC1TP53
SCHEMBL13209703 0.77 HPGDS (0.43) BAZ2ARAB9ASMN1; SMN2PDCD1LG2CD274

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 CYP19A1 383/4885ATP4A 192/4885ATP4B 587/4885

“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.