SCHEMBL4473909

SCHEMBL4473909

CCCc1cc(Cl)c2c(c1)C1CN(C(=O)OC(C)(C)C)CC1N(C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
HTR2C P28335 6/20 0.46
HTR2B P41595 6/20 0.46
STS P08842 1/20 0.34
PDE4B Q07343 1/20 0.33
TACR1 P25103 2/20 0.33
USP30 Q70CQ3 1/20 0.33
DPP4 P27487 1/20 0.33
KAT8 Q9H7Z6 2/20 0.33
KAT6A Q92794 1/20 0.33
RORC P51449 1/20 0.32
NR1H2 P55055 1/20 0.32
KAT5 Q92993 1/20 0.32

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
SCHEMBL4473912 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BSTSPDE4B
SCHEMBL4483372 0.86 HTR2A (0.51) HTR2AHTR2CHTR2BDPP4
SCHEMBL5576797 0.86 HTR2A (0.45) HTR2AHTR2CHTR2BDPP4
SCHEMBL4467073 0.81 HTR2A (0.56) HTR2AHTR2CHTR2BSTSPDE4B
SCHEMBL4467177 0.81 HTR2A (0.56) HTR2AHTR2CHTR2BSTSPDE4B
SCHEMBL4467069 0.81 HTR2A (0.56) HTR2AHTR2CHTR2BSTSPDE4B
SCHEMBL13763030 0.79 HTR2A (0.55) HTR2AHTR2CHTR2B
SCHEMBL13763136 0.79 HTR2A (0.55) HTR2AHTR2CHTR2B
SCHEMBL13756868 0.73 HTR2C (0.82) HTR2AHTR2CHTR2B
SCHEMBL4475914 0.73 HTR2A (0.54) HTR2AHTR2CHTR2BSTS

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.