SCHEMBL22210376

SCHEMBL22210376

CC(C)(C)C1C2CN(c3ccc(C#N)c(F)c3)CC21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
PREP P48147 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
TRPA1 O75762 1/20 0.42
CHRM2 P08172 2/20 0.42
AR P10275 2/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM4 P08173 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
PARP1 P09874 4/20 0.36
TNK1 Q13470 4/20 0.36
TNK2 Q07912 2/20 0.36
USP14 P54578 1/20 0.35
CYP11B1 P15538 2/20 0.35

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
SCHEMBL22209791 0.83 AR (0.54) DPP4PREPDPP8DPP9DPP7
SCHEMBL22210063 0.82 PRKCZ (0.37) TRPA1CHRM2CHRM1CHRM4
SCHEMBL22210152 0.81 DPP4 (0.42) DPP4PREPDPP8DPP9DPP7
SCHEMBL4635204 0.81 DPP4 (0.47) DPP4PREPDPP8DPP9DPP7
SCHEMBL22209797 0.78 TRPA1 (0.40) TRPA1CHRM2CHRM5CHRM1CYP11B2
SCHEMBL22209792 0.76 HRH3 (0.49) DPP4PREPDPP8DPP9DPP7
SCHEMBL22210038 0.75 PRKCZ (0.41) TRPA1
SCHEMBL22210160 0.74 DRD2 (0.51) TRPA1CHRM2CHRM1
SCHEMBL19692631 0.74 AR (0.47) CHRM2ARCHRM5CHRM1CHRM4
SCHEMBL22210394 0.74 MAPT (0.40)

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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 DPP4 2718/4885PREP 2995/4885DPP8 2977/4885

“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.