SCHEMBL5620733

SCHEMBL5620733

COCCN1CC[N]C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
CYP1A2 P05177 7/20 0.33
HSD17B10 Q99714 6/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 3/20 0.33
GRM5 P41594 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
PARP1 P09874 1/20 0.33
TSHR P16473 3/20 0.32
CYP2C9 P11712 2/20 0.32
RGS4 P49798 1/20 0.32
RGS8 P57771 1/20 0.32
PABPC1 P11940 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL993043 0.78
SCHEMBL9705943 0.74 MEN1 (0.39) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL5106801 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDGRM5PARP1
SCHEMBL4133056 0.74 GRM5 (0.36) ALDH1A1CYP1A2HSD17B10MEN1USP2
SCHEMBL7558118 0.74
SCHEMBL2819250 0.74
SCHEMBL9632622 0.73 GBA1 (0.42) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL10077164 0.73 CHRNB2 (0.37) ALDH1A1
SCHEMBL5621142 0.73
SCHEMBL14094214 0.73 ALDH1A1 (0.42) ALDH1A1CYP1A2HSD17B10GRM5PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 US claimed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 US claimed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 US disclosed
EP-1644369-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005005395-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 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 (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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B ALDH1A1 245/4885CYP1A2 195/4885HSD17B10 1136/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B ALDH1A1 245/4885CYP1A2 195/4885HSD17B10 1136/4885

“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.