SCHEMBL19941602

SCHEMBL19941602

C=C(CN1CCCC1)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 1/20 0.40
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
STAT6 P42226 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL20879798 0.83 CHRM5 (0.38) CHRM5CHRM3ALDH1A1
SCHEMBL29318723 0.83 CHRM5 (0.45) CHRM5CHRM3NPC1GAAPOLB
SCHEMBL24710260 0.81 CHRM5 (0.37) CHRM5CHRM3GAAPOLBCYP3A4
SCHEMBL24663287 0.79 SIGMAR1 (0.36) CHRM5CHRM3ALDH1A1SIGMAR1
SCHEMBL29328099 0.74 TP53 (0.39) CHRM5CHRM3KMT2AMEN1SIGMAR1
SCHEMBL7721235 0.74 CHRM5 (0.72) CHRM5CHRM3NPC1GAAPOLB
SCHEMBL29342747 0.73 SIGMAR1 (0.32) CHRM5CHRM3SIGMAR1
SCHEMBL13417680 0.72 CHRM5 (0.70) CHRM5CHRM3NPC1GAAPOLB
SCHEMBL22278103 0.71 GAA (0.40) CHRM5CHRM3NPC1GAAPOLB
SCHEMBL21100253 0.70 ALDH1A1 (0.34) CHRM5CHRM3NPC1GAAPOLB

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
WO-2018045084-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. (US) 2018-03-08 WO 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 (1 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CHRM5 4859/4885CHRM3 4787/4885NPC1 481/4885

“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.