SCHEMBL4481537

SCHEMBL4481537

Cc1cc(OS(=O)(=O)C(F)(F)F)cc2c1C(=O)NC1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
LIPE Q05469 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTR2A P28223 8/20 0.34
HTR2C P28335 8/20 0.34
HTR2B P41595 8/20 0.34
TACR1 P25103 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
USP30 Q70CQ3 1/20 0.33
PDE4B Q07343 1/20 0.32
STS P08842 1/20 0.32
EPHX2 P34913 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
SCHEMBL4476233 0.89 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL4475010 0.86 PDE4B (0.39) LIPEKDM4EHTR2AHTR2CHTR2B
SCHEMBL4475013 0.86 PDE4B (0.39) LIPEKDM4EHTR2AHTR2CHTR2B
SCHEMBL4462038 0.83 HTR2A (0.50) RORCKDM4EHTR2AHTR2CHTR2B
SCHEMBL4462035 0.83 HTR2A (0.50) RORCKDM4EHTR2AHTR2CHTR2B
SCHEMBL4467617 0.83 HTR2A (0.50) RORCKDM4EHTR2AHTR2CHTR2B
SCHEMBL4462972 0.82 KDM4E (0.39) RORCLIPEKDM4EHTR2AHTR2C
SCHEMBL4462976 0.82 KDM4E (0.39) RORCLIPEKDM4EHTR2AHTR2C
SCHEMBL4465351 0.80 HTR2A (0.54) RORCLIPEKDM4EHTR2AHTR2C
SCHEMBL4472913 0.80 HTR2A (0.54) LIPEKDM4EHTR2AHTR2CHTR2B

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 4 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
EP-1778225-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-05-02 EP disclosed
WO-2006019886-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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 RORC 2282/4885LIPE 706/4885KDM4E 2789/4885

“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.