SCHEMBL21363487

SCHEMBL21363487

Cn1c(=O)c2c(ncn2C(C)(C)C)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.64
POLB P06746 2/20 0.64
PIK3CD O00329 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CNR1 P21554 1/20 0.64
ACHE P22303 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
NTSR1 P30989 1/20 0.64
MC3R P41968 1/20 0.64
NOTUM Q6P988 1/20 0.64
SIRT3 Q9NTG7 1/20 0.64
GDA Q9Y2T3 1/20 0.64
NR2E1 Q9Y466 1/20 0.64
LMNA P02545 3/20 0.54
MAPT P10636 1/20 0.54
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL11227138 0.87 ADORA2B (0.60) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL22398942 0.85 ADORA2B (0.62) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL1065297 0.84 ADORA2B (0.57) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL17626243 0.81 SMN1; SMN2 (0.56) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL3776312 0.80 ADORA2B (0.55) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL19969106 0.78 ADORA2B (0.50) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL8569482 0.78 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL11698769 0.78 ADORA2B (0.72) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL901194 0.78 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL5671 0.78 ADORA2B (1.00) ADORA2BPOLBPIK3CDADORA3CNR1

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 7 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-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 US disclosed
US-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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 (6 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 ADORA2B 314/4885POLB 4799/4885PIK3CD 2621/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ADORA2B 55/4885POLB 4798/4885PIK3CD 3772/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2B 129/4885POLB 4804/4885PIK3CD 3752/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ADORA2B 55/4885POLB 4798/4885PIK3CD 3772/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ADORA2B 129/4885POLB 4804/4885PIK3CD 3752/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2B 129/4885POLB 4804/4885PIK3CD 3752/4885

“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.