SCHEMBL2006331

SCHEMBL2006331

Cn1c(-c2ccc(OCCCN3CCCCC3)cc2OCCF)nc2cc(Br)ccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.53
KCNH2 Q12809 9/20 0.53
ADRA1A P35348 4/20 0.53
ACHE P22303 3/20 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
SCHEMBL2002495 0.91 HRH3 (0.55) HRH3KCNH2ADRA1AACHE
SCHEMBL2004714 0.87 HRH3 (0.57) HRH3KCNH2ADRA1AACHE
SCHEMBL2006305 0.83 HRH3 (0.49) HRH3KCNH2ADRA1AACHE
SCHEMBL2005127 0.83 HRH3 (0.55) HRH3KCNH2ADRA1AACHE
SCHEMBL5264808 0.81 ACP1 (0.41)
SCHEMBL4483922 0.77 HRH3 (0.67) HRH3KCNH2ADRA1A
SCHEMBL2005073 0.75 HRH3 (0.72) HRH3KCNH2ADRA1AACHE
SCHEMBL2006508 0.75 HRH3 (0.74) HRH3KCNH2ADRA1AACHE
SCHEMBL2005484 0.74 HRH3 (0.78) HRH3KCNH2ADRA1A
SCHEMBL2008384 0.73 HRH3 (0.52) HRH3KCNH2ADRA1AACHE

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-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
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.