SCHEMBL21363495

SCHEMBL21363495

Cc1nc(N2CCN(C)CC2)n2ncn(C(C)(C)C)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
HRH4 Q9H3N8 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL21363453 0.86 TRPA1 (0.42) TRPA1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL21363653 0.86 HTT (0.38) TRPA1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL22477717 0.80 TRPA1 (0.41) TRPA1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21363450 0.78 TRPA1 (0.45) TRPA1
SCHEMBL21363544 0.77 TRPA1 (0.42) TRPA1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL21363540 0.76 TRPA1 (0.37) TRPA1
SCHEMBL21363372 0.75 TRPA1 (0.45) TRPA1BRD4POLB
SCHEMBL21363543 0.74 TRPA1 (0.34) TRPA1ALDH1A1LMNA
SCHEMBL21363427 0.74 TRPA1 (0.36) TRPA1
SCHEMBL26155676 0.74 TRPA1 (0.37) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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 (3 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885HTR3E 312/4885HTR3B 300/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885HTR3E 311/4885HTR3B 307/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885HTR3E 311/4885HTR3B 307/4885

“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.