SCHEMBL2005106

SCHEMBL2005106

COc1cc(OC2CCN(C3CCC3)CC2)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.55
ALDH1A1 P00352 2/20 0.52
KCNH2 Q12809 6/20 0.51
ADRA1A P35348 2/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL2004982 0.99 HRH3 (0.54) HRH3ALDH1A1KCNH2ADRA1ACYP2D6
SCHEMBL30826796 0.79 ALDH1A1 (0.58) HRH3ALDH1A1KCNH2
SCHEMBL2005027 0.76 HRH3 (0.58) HRH3KCNH2
SCHEMBL2005824 0.74 HRH3 (0.61) HRH3KCNH2
SCHEMBL7418526 0.74 ALDH1A1 (0.63) ALDH1A1
SCHEMBL6566396 0.74 HIF1A (0.50) ALDH1A1
SCHEMBL5863561 0.73 ALDH1A1 (0.54) ALDH1A1
SCHEMBL29394265 0.73 ALDH1A1 (0.54) ALDH1A1
SCHEMBL2006241 0.73 HRH3 (0.62) HRH3KCNH2
SCHEMBL16712653 0.72 HRH3 (0.61) HRH3KCNH2

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 3 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 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 1/4885ALDH1A1 2782/4885KCNH2 937/4885

“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.