SCHEMBL21363532

SCHEMBL21363532

Cn1cnc2cnn(C(C)(C)C)c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
PIK3CD O00329 1/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
ADORA1 P30542 1/20 0.41
NTSR1 P30989 1/20 0.41
MC3R P41968 1/20 0.41
NOTUM Q6P988 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GDA Q9Y2T3 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
CYP3A4 P08684 5/20 0.39
TSHR P16473 5/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL22477707 0.76 TSHR (0.35) ADORA2BCYP3A4TSHRCYP2C9CYP2C19
SCHEMBL22477726 0.75 ALDH1A1 (0.49) POLBCYP3A4TSHRCYP2C9CYP2C19
SCHEMBL21367817 0.73 ADORA2A (0.38) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL22477679 0.73 TRPA1 (0.47) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL14012593 0.72 TSHR (0.39) CYP3A4TSHRCYP2C9CYP2C19CYP2D6
SCHEMBL25165851 0.71 KDM4E (0.41) ADORA2AADORA2BADORA3ADORA1CYP3A4
SCHEMBL21363361 0.70 ALDH1A1 (0.41) POLBCYP3A4SMN1; SMN2CYP1A2MAPK1
SCHEMBL21363539 0.70 ADORA2B (0.41) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL27093405 0.69 KDM4E (0.44) ADORA2BSMN1; SMN2KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL27094678 0.69 KDM4E (0.48) ADORA2BPOLBSMN1; SMN2ALDH1A1HPGD

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-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ADORA2A 120/4885ADORA2B 55/4885PIK3CD 3772/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2A 284/4885ADORA2B 220/4885PIK3CD 2803/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2A 209/4885ADORA2B 129/4885PIK3CD 3752/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ADORA2A 120/4885ADORA2B 55/4885PIK3CD 3772/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ADORA2A 209/4885ADORA2B 129/4885PIK3CD 3752/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2A 209/4885ADORA2B 129/4885PIK3CD 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.