SCHEMBL25767720

SCHEMBL25767720

CN[C@H]1C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CACNA1E Q15878 1/20 0.41

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
SCHEMBL24019655 1.00 PGR (0.46) PGRCDYL2CDYLCACNB4CACNA1A
SCHEMBL22419352 0.78 SMN1; SMN2 (0.40) PGRMAPTMEN1KMT2ATP53
SCHEMBL17790196 0.78 TP53 (0.44) CDYL2CDYLMAPTTP53TSHR
SCHEMBL948578 0.77 PGR (0.69) PGRCDYL2CDYLCACNB4CACNA1A
SCHEMBL24112733 0.77 PGR (0.69) PGRCDYL2CDYLCACNB4CACNA1A
SCHEMBL24020000 0.77 MAPT (0.56) PGRCDYL2CDYLCACNB4CACNA1A
SCHEMBL23835717 0.77 MAPT (0.56) PGRCDYL2CDYLCACNB4CACNA1A
SCHEMBL24754644 0.75 IDO1 (0.46) MAPTMEN1KMT2APOLBIDO1
SCHEMBL117959 0.73 PGR (0.46) PGRCDYL2CDYLCACNB4CACNA1A
SCHEMBL2986303 0.73 PGR (0.72) PGRCDYL2CDYLCACNB4CACNA1A

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 1 patent. 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

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 PGR 3910/4885CDYL2 2474/4885CDYL 2575/4885

“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.