SCHEMBL4475770

SCHEMBL4475770

COc1cc(CN2C(=O)CCc3ccccc32)cc(N2CCN(C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.55
DRD4 P21917 10/20 0.55
DRD3 P35462 10/20 0.55
POLB P06746 1/20 0.53
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
ADRB1 P08588 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
SMPD1 P17405 1/20 0.44

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
SCHEMBL4464670 0.89 POLB (0.51) DRD2DRD4DRD3POLBADRB2
SCHEMBL13960709 0.88 DRD2 (0.50) DRD2DRD4DRD3POLBADRB2
SCHEMBL4489307 0.85 DRD2 (0.49) DRD2DRD4DRD3POLB
SCHEMBL13960710 0.82 POLB (0.58) DRD2DRD4DRD3POLBCHRM2
SCHEMBL30806382 0.80 POLB (0.66) DRD2DRD4DRD3POLB
SCHEMBL4480619 0.79 POLB (0.49) DRD2DRD4DRD3POLBADRB2
SCHEMBL4697249 0.79 ADRB1 (0.49) DRD2DRD4DRD3ADRB1CHRM1
SCHEMBL30100689 0.79 POLB (0.71) DRD2DRD4DRD3POLBSMPD1
SCHEMBL30100692 0.79 POLB (0.71) DRD2DRD4DRD3POLBSMPD1
SCHEMBL4328336 0.79 POLB (0.71) DRD2DRD4DRD3POLBSMPD1

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 14 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
EP-1603880-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 EP claimed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US claimed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO 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-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 DRD2 1307/4885DRD4 893/4885DRD3 1231/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR DRD2 720/4885DRD4 555/4885DRD3 901/4885

“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.