SCHEMBL24029073

SCHEMBL24029073

N[C@H]1C(=O)Nc2cccc(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.47
HTR1A P08908 5/20 0.47
HTR2C P28335 5/20 0.47
HTR7 P34969 5/20 0.47
HTR1D P28221 4/20 0.47
HTR2A P28223 2/20 0.47
HTR3A P46098 2/20 0.47
HTR6 P50406 1/20 0.47
HRH1 P35367 1/20 0.47
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44

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
SCHEMBL24112229 0.81 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24112728 0.81 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL29242312 0.79 PBRM1 (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24740178 0.78 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24019656 0.78 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL29954352 0.77 HTR5A (0.41) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24450201 0.75 HTR5A (0.50) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL19255044 0.75 HTR5A (0.38) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL29242316 0.75 PBRM1 (0.49) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL4551874 0.74 CREBBP (0.54) TP53MEN1KMT2AGAAKDM4E

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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 US disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 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 (2 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL HTR5A 4019/4885HTR1A 4514/4885HTR2C 1468/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL HTR5A 3386/4885HTR1A 3938/4885HTR2C 1480/4885

“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.