SCHEMBL4462972

SCHEMBL4462972

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTR2A P28223 8/20 0.39
HTR2C P28335 8/20 0.39
HTR2B P41595 8/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PDE4B Q07343 3/20 0.36
RORC P51449 1/20 0.35
ESR2 Q92731 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
LIPE Q05469 1/20 0.34
NR1H2 P55055 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
SCHEMBL4462976 1.00 KDM4E (0.39) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4462035 0.90 HTR2A (0.50) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4462038 0.90 HTR2A (0.50) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4467617 0.90 HTR2A (0.50) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4475013 0.87 PDE4B (0.39) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4475010 0.87 PDE4B (0.39) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4468755 0.86 HTR2A (0.54) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4469612 0.86 HTR2A (0.54) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4472913 0.86 HTR2A (0.54) KDM4EHTR2AHTR2CHTR2BMAPT
SCHEMBL4465351 0.86 HTR2A (0.54) KDM4EHTR2AHTR2CHTR2BMAPT

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 KDM4E 2789/4885HTR2A 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.