SCHEMBL4178267

SCHEMBL4178267

Cc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.50
PDE10A Q9Y233 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
SSTR4 P31391 1/20 0.46
GRM5 P41594 1/20 0.44
THRB P10828 2/20 0.44
HPGDS O60760 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 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
SCHEMBL6518006 0.85 HTR1A (0.51) HTR1AHTR1DSLC6A4KCNH2
SCHEMBL428078 0.84 GRM5 (0.42) GPR119PDE10AHTR1AHTR1DSLC6A4
SCHEMBL4174643 0.84 SSTR4 (0.48) GPR119SSTR4THRBSMN1; SMN2KDM4E
SCHEMBL19297055 0.83 PDE10A (0.53) GPR119PDE10ATHRBHPGDSKDM4E
SCHEMBL13132432 0.81 GPR119 (0.50) GPR119GRM5THRBKDM4EMAPT
SCHEMBL23443529 0.81 GPR119 (0.53) GPR119SLC6A4THRBHPGDSKDM4E
SCHEMBL30368880 0.81 GPR119 (0.53) GPR119SLC6A4THRBHPGDSKDM4E
SCHEMBL19284615 0.81 GPR119 (0.55) GPR119THRBKDM4EMAPT
SCHEMBL31180134 0.81 GPR119 (0.49) GPR119PDE10ATHRBKDM4EMAPT
SCHEMBL430227 0.81 CYP2C9 (0.52) GPR119HTR1AHTR1DKCNH2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 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 (3 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-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. HTR1A, HTR1D, HTR1E GPR119 534/4885PDE10A 951/4885HTR1A 1/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX GPR119 688/4885PDE10A 271/4885HTR1A 47/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX GPR119 939/4885PDE10A 398/4885HTR1A 476/4885

“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.