SCHEMBL2002500

SCHEMBL2002500

CCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 1.00
KCNH2 Q12809 14/20 1.00
ADRA1A P35348 8/20 1.00
DRD2 P14416 2/20 0.62
DRD3 P35462 2/20 0.62
MAPT P10636 1/20 0.61

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
SCHEMBL2003152 0.93 HRH3 (1.00) HRH3KCNH2ADRA1ADRD2DRD3
SCHEMBL2002247 0.89 HRH3 (0.81) HRH3KCNH2ADRA1AMAPT
SCHEMBL2005438 0.89 HRH3 (1.00) HRH3KCNH2ADRA1ADRD2DRD3
SCHEMBL2003640 0.89 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL2004603 0.88 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL2003748 0.87 HRH3 (0.78) HRH3KCNH2ADRA1ADRD2DRD3
SCHEMBL1999778 0.85 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL2005370 0.85 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4461965 0.83 HRH3 (0.98) HRH3KCNH2ADRA1A
SCHEMBL2003691 0.81 HRH3 (0.70) HRH3KCNH2ADRA1A

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.