SCHEMBL4477885

SCHEMBL4477885

COc1ccc2c(c1)OCC(=O)N2Cc1cc(Cl)cc(N2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
HTR6 P50406 2/20 0.45
ADRB1 P08588 4/20 0.42
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
BRD4 O60885 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL14202062 0.87 HTR6 (0.47) L3MBTL1HTR6ADRB1HTR3AHTR1A
SCHEMBL13960736 0.85 L3MBTL1 (0.48) L3MBTL1DRD4DRD3BRD4DRD2
SCHEMBL13973050 0.85 HTR6 (0.46) L3MBTL1HTR6ADRB1HTR3EHTR3B
SCHEMBL4477873 0.83 L3MBTL1 (0.58) L3MBTL1BRD4ALOX15CBX7CDYL2
SCHEMBL4475776 0.83 L3MBTL1 (0.46) L3MBTL1ALOX15CBX7CDYL2CDYL
SCHEMBL4479986 0.75 L3MBTL1 (0.59) L3MBTL1CHRM1BRD4CBX7CDYL2
SCHEMBL4697249 0.75 ADRB1 (0.49) HTR6ADRB1HTR3EHTR3BHTR3A
SCHEMBL1136436 0.74 HTR6 (0.62) L3MBTL1HTR6HTR3EHTR3BHTR3A
SCHEMBL6096108 0.73 L3MBTL1 (0.72) L3MBTL1BRD4CBX7CDYL2CDYL
SCHEMBL12107910 0.73 L3MBTL1 (0.61) L3MBTL1HTR6NMT1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP claimed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 US claimed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
EP-1603880-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 EP disclosed
US-20050261308-A1 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-11-24 US disclosed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 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 (2 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-20040186092-A1 Quinolinone derivaties and uses thereof NQO2, UGT1A8, UGT1A1 L3MBTL1 4557/4885HTR6 1306/4885ADRB1 857/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR L3MBTL1 4043/4885HTR6 2163/4885ADRB1 916/4885

“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.