SCHEMBL22601293

SCHEMBL22601293

CC(C)C1CCCC[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.52
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
KDR P35968 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC18A3 Q16572 2/20 0.31
EPHX1 P07099 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL10070056 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL19818246 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL13312942 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL280337 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL680648 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL7752845 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL3047337 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL16202652 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL4843434 0.97 TRPA1 (0.50) TRPA1TRPM8CA1CA2CA4
SCHEMBL3914000 0.97 TRPA1 (0.50) TRPA1TRPM8CA1CA2CA4

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-20200339542-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-10-29 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-20200339542-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS PIK3CD, PIK3R5, PIK3CG TRPA1 3749/4885TRPM8 4358/4885CA1 3047/4885

“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.