SCHEMBL29328148

SCHEMBL29328148

CC(C)c1c(C#N)ccc2c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.37
HTR2A P28223 6/20 0.37
HTR2B P41595 4/20 0.37
MTNR1B P49286 6/20 0.34
MTNR1A P48039 5/20 0.34
GSK3B P49841 1/20 0.33
EED O75530 2/20 0.32
RBBP4 Q09028 2/20 0.32
SUZ12 Q15022 2/20 0.32
AEBP2 Q6ZN18 2/20 0.32
EZH2 Q15910 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL8236311 0.77 HTR2A (0.39) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL8466373 0.77 HTR2C (0.39) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL23870387 0.76 HTR2A (0.38) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL29328151 0.76 HTR2A (0.38) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL13748093 0.73 HTR2A (0.38) HTR2CHTR2AHTR2B
SCHEMBL8277854 0.71 MTNR1A (0.40) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL29328235 0.70 EGFR (0.35) EED
SCHEMBL29328229 0.70 MAPK1 (0.35)
SCHEMBL14304553 0.69 ITGB2 (0.39) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL21872027 0.69 HTR2C (0.43) HTR2CHTR2AHTR2BMTNR1BMTNR1A

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 HTR2C 1491/4885HTR2A 2757/4885HTR2B 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.