SCHEMBL12417601

SCHEMBL12417601

CC(C)(Cc1ccccc1)C(O)CN

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.59
SLC6A2 P23975 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
VDR P11473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PRMT1 Q99873 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL22614877 0.81 TRPA1 (0.70) TRPA1SLC6A2TAAR1CYP2D6LMNA
SCHEMBL11857650 0.81 TRPA1 (0.59) TRPA1SLC6A2TAAR1CYP2D6LMNA
SCHEMBL11616261 0.81 TRPA1 (0.59) TRPA1SLC6A2TAAR1CYP2D6LMNA
SCHEMBL11700362 0.80 TRPA1 (0.46) TRPA1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL114928 0.78 TRPA1 (0.71) TRPA1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL4977777 0.77 TRPA1 (0.54) TRPA1SLC6A2TAAR1CYP2D6LMNA
SCHEMBL3594929 0.75 CYP3A4 (0.48) TRPA1SLC6A2TAAR1CYP2D6LMNA
SCHEMBL4743524 0.75 CYP3A4 (0.48) TRPA1SLC6A2TAAR1CYP2D6LMNA
SCHEMBL13765633 0.74 TRPA1 (0.61) TRPA1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL11613544 0.74 TRPA1 (0.56) TRPA1SLC6A2TAAR1SLC6A4SLC6A3

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-20110172223-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers CHAKRAVARTY PRASUN K 2011-07-14 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-20110172223-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D TRPA1 2/4885SLC6A2 474/4885TAAR1 348/4885

“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.