SCHEMBL2308799

SCHEMBL2308799

CC(C)(C)OC(=O)N1CCCCC1c1nc(-c2ccncc2)cs1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.63
CPT1A P50416 13/20 0.62
CPT2 P23786 10/20 0.62
CPT1B Q92523 4/20 0.52
UCHL1 P09936 1/20 0.49
USP30 Q70CQ3 1/20 0.49
TRPV1 Q8NER1 3/20 0.49

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
SCHEMBL2308792 1.00 HSD11B1 (0.63) HSD11B1CPT1ACPT2CPT1BUCHL1
SCHEMBL2637262 0.97 HSD11B1 (0.67) HSD11B1CPT1ACPT2CPT1BUCHL1
SCHEMBL2637264 0.97 HSD11B1 (0.67) HSD11B1CPT1ACPT2CPT1BUCHL1
SCHEMBL2307678 0.92 CPT1A (0.66) HSD11B1CPT1ACPT2CPT1BTRPV1
SCHEMBL2307670 0.92 CPT1A (0.66) HSD11B1CPT1ACPT2CPT1BTRPV1
SCHEMBL2309478 0.91 CPT1A (0.63) HSD11B1CPT1ACPT2CPT1BUCHL1
SCHEMBL2309485 0.91 CPT1A (0.63) HSD11B1CPT1ACPT2CPT1BUCHL1
SCHEMBL2306639 0.90 CPT1A (0.66) HSD11B1CPT1ACPT2CPT1BUCHL1
SCHEMBL2306645 0.90 CPT1A (0.66) HSD11B1CPT1ACPT2CPT1BUCHL1
SCHEMBL2304489 0.90 CPT1A (0.64) HSD11B1CPT1ACPT2CPT1BUCHL1

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 HSD11B1 707/4885CPT1A 1/4885CPT2 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.