SCHEMBL1449558

SCHEMBL1449558

O=C(O)N1CCC(N2CCOc3c(Br)cccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
NOTUM Q6P988 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
AGTR2 P50052 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1F P30939 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 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
SCHEMBL4572384 0.83 FPR2 (0.44) UCHL1USP30KDM4EALDH1A1
SCHEMBL1450744 0.78 HTR1A (0.39) HTR1AHTR1D
SCHEMBL31442690 0.76 NOTUM (0.51) NOTUMUCHL1USP30POLBMAPT
SCHEMBL19279722 0.76 NOTUM (0.51) NOTUMUCHL1USP30POLBMAPT
SCHEMBL1449921 0.74 NOTUM (0.35) NOTUMKDM4EPOLB
SCHEMBL1449965 0.74 GPR119 (0.37) ALDH1A1POLB
SCHEMBL1450047 0.74 KIF18A (0.37) HTR1AHTR1DHTR1FALDH1A1
SCHEMBL28259407 0.73 AVPR1A (0.42) NOTUMUCHL1USP30KDM4EALDH1A1
SCHEMBL1450237 0.73 SMO (0.39) NOTUMPOLBMAPT
SCHEMBL20872814 0.71 NOTUM (0.50) NOTUMUCHL1USP30ALDH1A1POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513265-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
US-8314095-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US disclosed
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
EP-2144902-B1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-05-16 EP disclosed
US-8076322-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-13 US disclosed
US-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-06-09 US disclosed
US-7910583-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
EP-2144902-A1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-01-20 EP disclosed
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
WO-2008137435-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 WO 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 (4 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-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 L3MBTL3 2384/4885L3MBTL1 1644/4885NOTUM 4490/4885
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 L3MBTL3 2384/4885L3MBTL1 1644/4885NOTUM 4490/4885
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 L3MBTL3 2384/4885L3MBTL1 1644/4885NOTUM 4490/4885
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 L3MBTL3 2384/4885L3MBTL1 1644/4885NOTUM 4490/4885

“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.