SCHEMBL25758736

SCHEMBL25758736

C=C(NC(C)C)OC(C)(C)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA3 P32297 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH1 P35367 1/20 0.37
CHRNA7 P36544 1/20 0.37
OPRK1 P41145 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL24019745 0.83 HPGD (0.43) NPSR1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL25759195 0.81 SLC6A2 (0.36) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL24019664 0.75 SLC6A2 (0.42) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL24740445 0.72 SLC6A2 (0.40) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL24112628 0.72 SCN5A (0.40) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL24447654 0.72 MAPK1 (0.42) NPSR1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL24112745 0.72 HPGD (0.40) NPSR1SLC6A2CHRNA1CHRNGITGA5
SCHEMBL24447304 0.72 ALOX15 (0.38) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL25758739 0.70 ALDH1A1 (0.52) ALDH1A1HPGD
SCHEMBL17069264 0.69 PNMT (0.41) SLC6A2CHRNA1CHRNGITGA5CHRNB1

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 NPSR1 4258/4885SLC6A2 4594/4885CHRNA1 4878/4885

“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.