SCHEMBL22326405

SCHEMBL22326405

CC(C)C1CCN(C)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
NCF1 P14598 1/20 0.32
GBA1 P04062 1/20 0.32
CDK9 P50750 3/20 0.31
CCNT1 O60563 2/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL26813167 1.00 TRPA1 (0.42) TRPA1TRPM8NCF1GBA1CDK9
SCHEMBL15292557 1.00 TRPA1 (0.42) TRPA1TRPM8NCF1GBA1CDK9
SCHEMBL17854859 1.00 TRPA1 (0.42) TRPA1TRPM8NCF1GBA1CDK9
SCHEMBL21138061 0.83 NCF1 (0.30) NCF1GBA1CDK9CCNT1CCNA2
SCHEMBL23559722 0.79 TRPA1 (0.37) TRPA1TRPM8
SCHEMBL13663372 0.79 NCF1 (0.36) NCF1
SCHEMBL26458056 0.79 TRPA1 (0.37) TRPA1TRPM8
SCHEMBL19286096 0.79 GLB1 (0.35) NCF1GBA1
SCHEMBL24844807 0.77 TRPA1 (0.35) TRPA1TRPM8NCF1
SCHEMBL22648430 0.77 TRPA1 (0.41) TRPA1TRPM8

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-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 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-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR TRPA1 4478/4885TRPM8 4686/4885NCF1 2824/4885

“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.