SCHEMBL4467913

SCHEMBL4467913

CCc1cc(OC)c2c(c1)C1CN(C(=O)OC(C)(C)C)CC1NC2=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.42
HTR2A P28223 6/20 0.40
HTR2C P28335 6/20 0.40
HTR2B P41595 6/20 0.40
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL4480061 1.00 PDE4B (0.42) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4467916 1.00 PDE4B (0.42) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4475452 0.89 HTR2A (0.41) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4475448 0.89 HTR2A (0.41) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4468755 0.89 HTR2A (0.54) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4468761 0.89 HTR2A (0.54) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4472913 0.89 HTR2A (0.54) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4475914 0.88 HTR2A (0.54) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4469810 0.88 HTR2A (0.42) PDE4BHTR2AHTR2CHTR2BKDM4E
SCHEMBL4482420 0.88 HTR2A (0.42) PDE4BHTR2AHTR2CHTR2BKDM4E

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 PDE4B 592/4885HTR2A 31/4885HTR2C 17/4885

“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.