SCHEMBL166241

SCHEMBL166241

COC(=O)c1cc(C)cc(C(=O)N2CCCC2c2nc(C)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.42
POLB P06746 1/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 1/20 0.39
ROCK2 O75116 2/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
NAA50 Q9GZZ1 2/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL166240 1.00 TRPV1 (0.42) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL6466955 0.93 BAZ2A (0.41) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL3511063 0.92 TSHR (0.39) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL475795 0.92 TSHR (0.39) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL6464489 0.92 POLB (0.39) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL10290636 0.91 BAZ2A (0.42) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL3513513 0.90 POLB (0.38) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL475663 0.90 POLB (0.38) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL2317005 0.89 TSHR (0.38) TRPV1POLBHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL3514481 0.89 TSHR (0.38) TRPV1POLBHSP90AA1HSP90AB1SMN1; 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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 TRPV1 2871/4885POLB 1391/4885HSP90AA1 3048/4885

“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.