SCHEMBL1449593

SCHEMBL1449593

COc1c(Cl)ncnc1NC1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 9/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 4/20 0.41
CNR2 P34972 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
NOS3 P29474 2/20 0.40
NSD2 O96028 1/20 0.39

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
SCHEMBL11913075 0.85 GPR119 (0.55) ALDH1A1NPC1RAB9ACNR1CNR2
SCHEMBL303845 0.84 PAK1 (0.47) PAK1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL3806682 0.84 PAK1 (0.44) PAK1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL1449844 0.82 PAK1 (0.45) PAK1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL1449800 0.81 HTR1A (0.39) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL305136 0.77 CUL4A (0.45) PAK1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL19692433 0.77 CCNK (0.39) PAK1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL25180032 0.77 ACHE (0.45)
SCHEMBL288499 0.77 GPR119 (0.41)
SCHEMBL5930705 0.75 PIK3CD (0.51) ALDH1A1CNR1CNR2

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 PAK1 2937/4885ALDH1A1 2019/4885HSD17B10 2706/4885
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 PAK1 2937/4885ALDH1A1 2019/4885HSD17B10 2706/4885
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 PAK1 2937/4885ALDH1A1 2019/4885HSD17B10 2706/4885
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 PAK1 2937/4885ALDH1A1 2019/4885HSD17B10 2706/4885

“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.