SCHEMBL5880441

SCHEMBL5880441

c1ccc(CN2CCc3c(ncnc3N3CCOCC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.53
ALDH1A1 P00352 4/20 0.52
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
HTR2B P41595 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
DRD4 P21917 1/20 0.50
HRH1 P35367 1/20 0.50
PDE10A Q9Y233 3/20 0.47
HTR2C P28335 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ADRA2C P18825 1/20 0.44
LIMK1 P53667 1/20 0.44
PTK2 Q05397 1/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
PIK3CA P42336 1/20 0.43

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
SCHEMBL4975207 0.86 ALDH1A1 (0.49) BRS3ALDH1A1KDM4EHPGDMAPT
SCHEMBL4978504 0.83 BRS3 (0.43) BRS3ALDH1A1KDM4ELIMK1HPGD
SCHEMBL4976697 0.83 BRS3 (0.46) BRS3ALDH1A1KDM4ELIMK1HPGD
SCHEMBL4976824 0.83 HRH3 (0.51) BRS3ALDH1A1KDM4EHPGDMAPT
SCHEMBL1831098 0.82 BRS3 (0.57) BRS3ALDH1A1GAATMEM97SIGMAR1
SCHEMBL4982036 0.82 HRH3 (0.53) BRS3ALDH1A1PKMKDM4EHPGD
SCHEMBL4981995 0.81 HRH1 (0.49) BRS3ALDH1A1HRH1KDM4ELIMK1
SCHEMBL4071423 0.81 HRH1 (0.46) BRS3ALDH1A1HRH1KDM4ELIMK1
SCHEMBL4973617 0.80 HRH3 (0.46) BRS3ALDH1A1KDM4EHPGDHIF1A
SCHEMBL14273295 0.80 HRH3 (0.46) BRS3ALDH1A1KDM4EHPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B BRS3 401/4885ALDH1A1 875/4885GAA 2623/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B BRS3 330/4885ALDH1A1 912/4885GAA 2499/4885

“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.