SCHEMBL21363629

SCHEMBL21363629

CCC(C)Pn1cnc2ncn(C)c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
ADORA2B P29275 2/20 0.35
CYP3A4 P08684 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 3/20 0.32
ADORA1 P30542 2/20 0.32
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 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
SCHEMBL21363687 0.77 ADORA2A (0.37) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL20203174 0.72 ADORA2A (0.48) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21367842 0.71 TRPA1 (0.33) ADORA2AADORA2BCYP3A4BLMPMP22
SCHEMBL25165828 0.70 ADORA2A (0.50) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21363366 0.64 ADORA2A (0.37) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL26248671 0.64 ADORA2A (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL26248688 0.62 ADORA2A (0.41) ADORA2AADORA2BHSD17B10TRPA1ADORA1
SCHEMBL23718330 0.61 TRPA1 (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL22957048 0.59 ADORA2B (0.43) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21363707 0.59 ADORA2A (0.40) ADORA2APDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2A 209/4885PDE4A 1182/4885PDE4B 1675/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ADORA2A 209/4885PDE4A 1182/4885PDE4B 1675/4885

“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.