SCHEMBL21961597

SCHEMBL21961597

CC[C@H]1CCC[C@](C)(O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP2D6 P10635 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL12424356 1.00 TRPA1 (0.42) TRPA1POLBCNR1CNR2CYP2D6
SCHEMBL24267448 1.00 TRPA1 (0.42) TRPA1POLBCNR1CNR2CYP2D6
SCHEMBL21947333 1.00 TRPA1 (0.42) TRPA1POLBCNR1CNR2CYP2D6
SCHEMBL21961818 0.86
SCHEMBL25090773 0.86
SCHEMBL24618891 0.86
SCHEMBL28566656 0.80 POLB (0.33) POLB
SCHEMBL1153330 0.78 TRPA1 (0.39) TRPA1
SCHEMBL1153334 0.78 TRPA1 (0.39) TRPA1
SCHEMBL1153332 0.78 TRPA1 (0.39) TRPA1

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TRPA1 4793/4885POLB 1657/4885CNR1 4281/4885

“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.