SCHEMBL4469810

SCHEMBL4469810

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.42
HTR2C P28335 6/20 0.42
HTR2B P41595 6/20 0.42
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
LIPE Q05469 2/20 0.36
TACR1 P25103 2/20 0.35
RORC P51449 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PDE4B Q07343 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
NR1H2 P55055 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL4462114 1.00 HTR2A (0.42) HTR2AHTR2CHTR2BDPP4KDM4E
SCHEMBL4482420 1.00 HTR2A (0.42) HTR2AHTR2CHTR2BDPP4KDM4E
SCHEMBL4475448 0.89 HTR2A (0.41) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4468755 0.89 HTR2A (0.54) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4475452 0.89 HTR2A (0.41) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4472913 0.89 HTR2A (0.54) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4468761 0.89 HTR2A (0.54) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4465932 0.88 HTR2A (0.58) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4465928 0.88 HTR2A (0.58) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL4476667 0.88 HTR2A (0.58) 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.