SCHEMBL4467617

SCHEMBL4467617

Cc1cc(C)c2c(c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC2=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.50
HTR2C P28335 10/20 0.50
HTR2B P41595 10/20 0.50
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PDE4B Q07343 1/20 0.37
EPHX2 P34913 2/20 0.36
RORC P51449 1/20 0.36
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL4462038 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4462035 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4462972 0.90 KDM4E (0.39) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4462976 0.90 KDM4E (0.39) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4462169 0.89 HTR2A (0.52) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4464166 0.89 HTR2A (0.52) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4462171 0.89 HTR2A (0.52) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4475010 0.88 PDE4B (0.39) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4475013 0.88 PDE4B (0.39) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4465351 0.87 HTR2A (0.54) HTR2AHTR2CHTR2BKDM4EMAPT

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.