SCHEMBL2592883

SCHEMBL2592883

Brc1ccc2nc(OC3CCN(Cc4ccccc4)CC3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.48
ACACB O00763 1/20 0.48
ROCK1 Q13464 2/20 0.47
ROCK2 O75116 1/20 0.47
CCR2 P41597 1/20 0.47
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KCNH2 Q12809 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
GAA P10253 1/20 0.43
DRD2 P14416 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL2585694 0.79 LTA4H (0.42) LTA4HROCK1ROCK2CCR2BCHE
SCHEMBL2589683 0.78 ACACB (0.55) ACACBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2594050 0.78 CHEK2 (0.42) LTA4HROCK1ROCK2CCR2BCHE
SCHEMBL22131998 0.77 ACACB (0.55) ACACBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11066614 0.76 ROCK1 (0.64) ROCK1ROCK2CCR2SMN1; SMN2KCNH2
SCHEMBL16005681 0.76 LTA4H (0.45) LTA4HROCK1ROCK2CCR2BCHE
SCHEMBL5532724 0.76 SMN1; SMN2 (0.49) ROCK1ROCK2CCR2SMN1; SMN2MAPT
SCHEMBL2591565 0.74 ACACB (0.53) ACACBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10605326 0.74 HRH3 (0.69) ROCK1ROCK2CCR2BCHEACHE
SCHEMBL2583770 0.74 ACACB (0.46) ACACBNPC1RAB9AMAPT

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-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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 (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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 LTA4H 841/4885ACACB 4238/4885ROCK1 2427/4885

“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.