SCHEMBL4470913

SCHEMBL4470913

O=C1NC2CN(C(=O)O)CC2c2ccc(Cl)c(Cl)c21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.56
HTR2C P28335 18/20 0.56
HTR2B P41595 18/20 0.56
DPP4 P27487 1/20 0.32
CES1 P23141 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
SCHEMBL4468134 0.88 HTR2A (0.58) HTR2AHTR2CHTR2BDPP4
SCHEMBL4462867 0.87 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL4472572 0.83 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL4472569 0.83 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL4481633 0.83 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL13763012 0.81 HTR2A (0.62) HTR2AHTR2CHTR2BCES1
SCHEMBL13763169 0.81 HTR2A (0.62) HTR2AHTR2CHTR2BCES1
SCHEMBL13756915 0.80 HTR2A (0.60) HTR2AHTR2CHTR2BCES1
SCHEMBL4467903 0.80 HTR2A (0.56) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL4482019 0.79 HTR2A (0.61) HTR2AHTR2CHTR2B

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 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.