SCHEMBL4458506

SCHEMBL4458506

COc1cc(C)c2c(c1)C1CN(C(=O)O)CC1NC2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.41
HTR2C P28335 12/20 0.41
HTR2B P41595 12/20 0.41
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 3/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4475010 0.86 PDE4B (0.39) HTR2AHTR2CHTR2B
SCHEMBL4475013 0.86 PDE4B (0.39) HTR2AHTR2CHTR2B
SCHEMBL4472513 0.85 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL4476233 0.85 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL4473318 0.84 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL13763140 0.82 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL4484134 0.81 HTR2A (0.60) HTR2AHTR2CHTR2B
SCHEMBL4464501 0.81 HTR2A (0.60) HTR2AHTR2CHTR2B
SCHEMBL4482456 0.81 HTR2A (0.60) HTR2AHTR2CHTR2B
SCHEMBL4465991 0.80 GAA (0.37)

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-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B HTR2A 31/4885HTR2C 17/4885HTR2B 1/4885

“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.