SCHEMBL29328151

SCHEMBL29328151

CC(C)c1c(Cl)ccc2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.38
HTR2C P28335 7/20 0.38
HTR2B P41595 7/20 0.38
MTNR1A P48039 8/20 0.36
MTNR1B P49286 8/20 0.36
KIF11 P52732 1/20 0.32
ABCB11 O95342 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
USP2 O75604 1/20 0.31
HTR1A P08908 2/20 0.31
HTR6 P50406 2/20 0.31
HTR4 Q13639 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1D P28221 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL8466373 0.80 HTR2C (0.39) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL8236311 0.80 HTR2A (0.39) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL23870387 0.79 HTR2A (0.38) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL29328148 0.76 HTR2C (0.37) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL12533398 0.75 HTR2C (0.38) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL8277854 0.73 MTNR1A (0.40) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL29328231 0.73 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL3006411 0.72 HTR2C (0.35) HTR2AHTR2CHTR2BKIF11HTR4
SCHEMBL29413897 0.72 HTR2C (0.35) HTR2AHTR2CHTR2BKIF11HTR4
SCHEMBL21872027 0.71 HTR2C (0.43) HTR2AHTR2CHTR2BMTNR1AMTNR1B

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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 (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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HTR2A 2757/4885HTR2C 1491/4885HTR2B 2735/4885

“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.