SCHEMBL24450201

SCHEMBL24450201

CCC1C(=O)Nc2cccc(Cl)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.50
HTR1A P08908 6/20 0.50
HTR2C P28335 6/20 0.50
HTR7 P34969 6/20 0.50
PGR P06401 1/20 0.49
HTR1D P28221 5/20 0.45
HTR2A P28223 2/20 0.43
HTR6 P50406 2/20 0.43
HTR3A P46098 1/20 0.43
HRH1 P35367 1/20 0.43
CREBBP Q92793 2/20 0.41
BRD4 O60885 1/20 0.41
PBRM1 Q86U86 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMARCA2 P51531 2/20 0.40
SMARCA4 P51532 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL23835758 0.81 PGR (0.43) PGRCREBBPBRD4PBRM1L3MBTL1
SCHEMBL24450283 0.80 PGR (0.43) PGRCREBBPBRD4PBRM1MEN1
SCHEMBL24112728 0.79 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7PGR
SCHEMBL24112229 0.79 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7PGR
SCHEMBL24740178 0.76 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24019656 0.76 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24029073 0.75 HTR5A (0.47) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL16484253 0.74 HTR5A (0.37) HTR5AHTR1AHTR2CHTR7PGR
SCHEMBL24112590 0.74 IDO1 (0.64) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL30310788 0.74 IDO1 (0.64) HTR5AHTR1AHTR2CHTR7HTR1D

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-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 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-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL HTR5A 4019/4885HTR1A 4514/4885HTR2C 1468/4885

“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.