SCHEMBL4459162

SCHEMBL4459162

Cc1ccc(Cl)c2c1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC2=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
RORC P51449 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PDE4B Q07343 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
LIPE Q05469 2/20 0.36
STS P08842 1/20 0.35
USP30 Q70CQ3 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
PBRM1 Q86U86 1/20 0.34

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
SCHEMBL4468468 1.00 MEN1 (0.39) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4459161 1.00 MEN1 (0.39) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4468453 0.87 HTR2A (0.55) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4475808 0.87 HTR2A (0.55) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4468449 0.87 HTR2A (0.55) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4462264 0.85 HTR2A (0.42) HTR2AHTR2CHTR2BPBRM1
SCHEMBL4472326 0.84 HTR2A (0.52) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4467635 0.84 HTR2A (0.52) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4467629 0.84 HTR2A (0.52) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4472572 0.83 HTR2A (0.49) MEN1KMT2AHTR2AHTR2CHTR2B

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 MEN1 1307/4885KMT2A 4182/4885HTR2A 31/4885

“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.