SCHEMBL2006126

SCHEMBL2006126

[CH]1CCCN(C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 13/20 0.40
L3MBTL1 Q9Y468 11/20 0.40
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MBTD1 Q05BQ5 5/20 0.36
TP53BP1 Q12888 2/20 0.34
L3MBTL4 Q8NA19 1/20 0.34
ABCB1 P08183 1/20 0.32

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
SCHEMBL2007966 0.93 L3MBTL3 (0.39) L3MBTL3L3MBTL1CYP2D6CYP2C19MBTD1
SCHEMBL2009840 0.93 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1ABCB1
SCHEMBL2006890 0.93 L3MBTL3 (0.43) L3MBTL3L3MBTL1CYP2D6CYP2C19MBTD1
SCHEMBL2011528 0.91 SLC18A3 (0.41) L3MBTL3L3MBTL1MBTD1ABCB1
SCHEMBL2011143 0.91 SLC18A3 (0.41) L3MBTL3L3MBTL1MBTD1ABCB1
SCHEMBL574979 0.89
SCHEMBL2004013 0.86 L3MBTL3 (0.42) L3MBTL3L3MBTL1CYP2D6CYP2C19MBTD1
SCHEMBL2003194 0.86 L3MBTL3 (0.42) L3MBTL3L3MBTL1CYP2D6CYP2C19MBTD1
SCHEMBL736256 0.84 SLC18A3 (0.42) L3MBTL3L3MBTL1ABCB1
SCHEMBL735809 0.84 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1ABCB1

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 disclosed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO 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 (2 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 L3MBTL3 1939/4885L3MBTL1 2537/4885CYP2D6 1027/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 L3MBTL3 3276/4885L3MBTL1 1537/4885CYP2D6 1667/4885

“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.