SCHEMBL22209792

SCHEMBL22209792

CC(C)(C)C1C2CN(c3ccc(C#N)cc3)CC21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
POLB P06746 1/20 0.37
TRPA1 O75762 1/20 0.37
MEN1 O00255 1/20 0.37
KIF11 P52732 1/20 0.37
CHEK1 O14757 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL20979914 0.83 KDM4E (0.49) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL22210160 0.81 DRD2 (0.51) TRPA1GRM2
SCHEMBL22210394 0.77 MAPT (0.40) KDM4ETP53POLBMEN1
SCHEMBL4895815 0.77 HRH3 (0.49) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL22209630 0.77 HTR3E (0.40) KDM4EPOLBMEN1
SCHEMBL22919251 0.77 HRH3 (0.49) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL22209787 0.77 TRPA1 (0.42) HRH3DPP4PREPDPP8DPP9
SCHEMBL22209897 0.77 DPP4 (0.44) DPP4PREPDPP8DPP9DPP7
SCHEMBL22209763 0.77 BPTF (0.46) POLBMEN1
SCHEMBL19570981 0.77 HRH3 (0.55) HRH3KDM4ETP53CHRNA10CHRNA9

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 HRH3 558/4885KDM4E 4315/4885TP53 4121/4885

“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.