SCHEMBL21363537

SCHEMBL21363537

Cn1cc(C#N)c2cnn(C(C)(C)C)c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
GLA P06280 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
MAPK1 P28482 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL25165830 0.82 TSHR (0.37) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL26156196 0.77 IMPDH2 (0.36) IMPDH2ALDH1A1KDM4EGAAGLA
SCHEMBL21363594 0.77 IMPDH2 (0.36) IMPDH2ALDH1A1KDM4EGAAGLA
SCHEMBL22477707 0.75 TSHR (0.35) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL14012593 0.67 TSHR (0.39) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL21363532 0.65 ADORA2A (0.41) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL8550536 0.65 SMN1; SMN2 (0.38) TSHRCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL810891 0.63 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL25703580 0.63 MAPT (0.33) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL22477726 0.63 ALDH1A1 (0.49) TSHRCYP3A4CYP2C9CYP2C19CYP2D6

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 5 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-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-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 (5 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 IMPDH2 3389/4885TSHR 1061/4885CYP3A4 843/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 IMPDH2 3542/4885TSHR 903/4885CYP3A4 865/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 IMPDH2 3389/4885TSHR 1061/4885CYP3A4 843/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 IMPDH2 3542/4885TSHR 903/4885CYP3A4 865/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 IMPDH2 3542/4885TSHR 903/4885CYP3A4 865/4885

“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.