SCHEMBL21322189

SCHEMBL21322189

CC(C)CNCCNC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ANPEP P15144 4/20 0.39
MMP8 P22894 2/20 0.38
MMP1 P03956 1/20 0.38
EPHX1 P07099 2/20 0.36
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
BCAT2 O15382 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
SCHEMBL14471288 0.80 KDM4E (0.46) CYP2D6CYP2C19SCN1ASCN2ASCN3A
SCHEMBL25359136 0.80 CYP2C19 (0.62) CYP2D6CYP2C19SCN1ASCN2ASCN3A
SCHEMBL23863 0.79
SCHEMBL14453859 0.78 CYP2C19 (0.43) CYP2D6CYP2C19SCN1ASCN2ASCN3A
SCHEMBL14435549 0.78 BCAT2 (0.32) ALDH1A1BCAT2TSHR
SCHEMBL30973705 0.78 CA5A (0.41) CYP2C19ALDH1A1BCAT2TSHR
SCHEMBL25554113 0.77 ARG1 (0.35) ALDH1A1TSHRUSP2
SCHEMBL3318901 0.76 SCN1A (0.41) CYP2D6CYP2C19SCN1ASCN2ASCN3A
SCHEMBL175234 0.75 TDP1 (0.46) CYP2C19ALDH1A1HSD17B10BCAT2TSHR
SCHEMBL1005943 0.75 ADH1B (0.45) CYP2D6CYP2C19SCN1ASCN2ASCN3A

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 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 (4 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 1710/4885CYP2C19 3244/4885SCN1A 3186/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 1710/4885CYP2C19 3244/4885SCN1A 3186/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CYP2D6 1710/4885CYP2C19 3244/4885SCN1A 3186/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 1710/4885CYP2C19 3244/4885SCN1A 3186/4885

“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.