SCHEMBL21531695

SCHEMBL21531695

CC(C)(C)OC(=O)NCC(=O)N[C@H](CNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 10/20 0.53
SLC6A9 P48067 3/20 0.52
TAOK1 Q7L7X3 1/20 0.49
TAOK3 Q9H2K8 1/20 0.49
SLC6A5 Q9Y345 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL21531580 0.90 MEN1 (0.49) GPR139SLC6A9TAOK1TAOK3NPC1
SCHEMBL9848834 0.89 CTSK (0.52) GPR139NPC1RAB9ASMN1; SMN2CTSS
SCHEMBL21350190 0.84 RIPK1 (0.52) GPR139SLC6A9TAOK1TAOK3CTSS
SCHEMBL19020179 0.84 RIPK1 (0.52) GPR139SLC6A9TAOK1TAOK3CTSS
SCHEMBL18989461 0.83 SMN1; SMN2 (0.48) GPR139SLC6A9TAOK1TAOK3SMN1; SMN2
SCHEMBL18989460 0.83 SMN1; SMN2 (0.48) GPR139SLC6A9TAOK1TAOK3SMN1; SMN2
SCHEMBL21531711 0.82 GPR139 (0.42) GPR139
SCHEMBL5418894 0.82 CTSS (0.48) SLC6A9NPC1RAB9ASMN1; SMN2CTSS
SCHEMBL9300286 0.80 TSHR (0.54) GPR139SLC6A9SLC6A5CTSSCTSK
SCHEMBL15145801 0.79 GPR139 (0.62) GPR139CTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP GPR139 3261/4885SLC6A9 4716/4885TAOK1 3867/4885

“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.