SCHEMBL430227

SCHEMBL430227

Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.52
NCF1 P14598 1/20 0.52
HTR1A P08908 10/20 0.51
HTR1D P28221 10/20 0.51
HTR1B P28222 10/20 0.51
GBA1 P04062 2/20 0.51
DRD2 P14416 3/20 0.49
HTR7 P34969 3/20 0.49
DRD3 P35462 3/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
KCNH2 Q12809 2/20 0.48
HTR6 P50406 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL4176341 0.96 CKS1B (0.53) CYP2C9NCF1HTR1AHTR1DHTR1B
SCHEMBL425806 0.87 BACE1 (0.51) NCF1GBA1CKS1BSKP1SKP2
SCHEMBL5379011 0.86 GBA1 (0.49) GBA1CKS1BSKP1SKP2GPR119
SCHEMBL5523102 0.86 NCF1 (0.72) NCF1GBA1CKS1BSKP1SKP2
SCHEMBL431774 0.85 GBA1 (0.48) GBA1CKS1BSKP1SKP2GPR119
SCHEMBL428233 0.85 GBA1 (0.48) NCF1GBA1CKS1BSKP1SKP2
SCHEMBL429714 0.85 GBA1 (0.48) GBA1CKS1BSKP1SKP2GPR119
SCHEMBL4178112 0.85 NCF1 (0.59) CYP2C9NCF1HTR1AHTR1DHTR1B
SCHEMBL430252 0.84 GBA1 (0.48) HTR1AHTR1DHTR1BGBA1CKS1B
SCHEMBL428076 0.84 GBA1 (0.48) NCF1GBA1CKS1BSKP1SKP2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US claimed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
US-7964603-B2 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-21 US disclosed
US-7964603-B2 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-21 US disclosed
US-7964603-B2 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-21 US disclosed
EP-2016943-B1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2011-02-23 EP disclosed
EP-2016943-B1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2011-02-23 EP disclosed
US-7279481-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-7279481-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2007-07-19 US disclosed
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2007-07-19 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 WO 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 (4 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE CYP2C9 1185/4885NCF1 4523/4885HTR1A 7/4885
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F CYP2C9 1149/4885NCF1 1952/4885HTR1A 1/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX CYP2C9 106/4885NCF1 3681/4885HTR1A 476/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F CYP2C9 1149/4885NCF1 1952/4885HTR1A 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.