SCHEMBL2008462

SCHEMBL2008462

Cc1cncc2c(=O)n(C)c(-c3ccc(OCCCN4CCC[C@H](C)C4)cc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.55
KCNH2 Q12809 4/20 0.54
ADRA1A P35348 2/20 0.54
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL2003334 0.81 HRH3 (0.61) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL5336301 0.81 HRH3 (0.61) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL2008001 0.80 HRH3 (0.59) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL5336265 0.79 HRH3 (0.53) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL2005250 0.79 HRH3 (0.53) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL2002334 0.77 HRH3 (0.74) HRH3KCNH2ADRA1A
SCHEMBL2004905 0.76 HRH3 (0.74) HRH3KCNH2ADRA1A
SCHEMBL12061358 0.74 HRH3 (0.78) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4096055 0.74 HRH3 (0.78) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4098927 0.74 HRH3 (0.78) HRH3HRH2HRH1MAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US claimed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US claimed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP claimed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 (1 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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 937/4885ADRA1A 63/4885

“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.