SCHEMBL2005658

SCHEMBL2005658

Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2cnccc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.76
KCNH2 Q12809 13/20 0.76
ADRA1A P35348 8/20 0.76
HTR3A P46098 2/20 0.51

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
SCHEMBL2003640 0.87 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL2004603 0.85 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL2005484 0.85 HRH3 (0.78) HRH3KCNH2ADRA1AHTR3A
SCHEMBL2003433 0.84 KCNH2 (0.71) HRH3KCNH2ADRA1AHTR3A
SCHEMBL4463008 0.83 HRH3 (0.77) HRH3KCNH2ADRA1A
SCHEMBL4462601 0.83 HRH3 (0.77) HRH3KCNH2ADRA1A
SCHEMBL2007644 0.83 KCNH2 (0.78) HRH3KCNH2ADRA1A
SCHEMBL2004698 0.83 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL15555742 0.82 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL2011759 0.82 HRH3 (0.76) HRH3KCNH2ADRA1AHTR3A

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.