SCHEMBL2004871

SCHEMBL2004871

COc1cc(-c2nc3ccc(Br)cc3c(=O)n2C)ccc1OCCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.55
KCNH2 Q12809 3/20 0.55
ADRA1A P35348 2/20 0.55
MCHR1 Q99705 5/20 0.49
ADORA2A P29274 2/20 0.48
ADORA1 P30542 1/20 0.48
EHMT2 Q96KQ7 3/20 0.47
EHMT1 Q9H9B1 3/20 0.47
ALDH1A1 P00352 1/20 0.47
AVPR1B P47901 1/20 0.45

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
SCHEMBL2005127 0.83 HRH3 (0.55) HRH3KCNH2ADRA1A
SCHEMBL20304085 0.78 KDM4E (0.59) EHMT2EHMT1ALDH1A1
SCHEMBL2007644 0.75 KCNH2 (0.78) HRH3KCNH2ADRA1A
SCHEMBL4483842 0.75 HRH3 (0.77) HRH3KCNH2ADRA1A
SCHEMBL2002495 0.75 HRH3 (0.55) HRH3KCNH2ADRA1A
SCHEMBL2004698 0.73 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL22067581 0.72 HRH3 (0.66) HRH3KCNH2ADRA1AMCHR1
SCHEMBL2323789 0.72 LTA4H (0.66) MCHR1ALDH1A1
SCHEMBL2004603 0.72 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL2011055 0.72 ADRA1A (0.63) HRH3KCNH2ADRA1AAVPR1B

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.