SCHEMBL2583770

SCHEMBL2583770

CCCc1cnc(N2CCC(Oc3nc4ccc(Br)cc4s3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
GPR119 Q8TDV5 12/20 0.45
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SCD O00767 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
APP P05067 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
SCHEMBL2583763 0.85 SCD (0.47) ACACBRAB9ANPC1SCDALDH1A1
SCHEMBL2591704 0.85 GPR119 (0.44) ACACBGPR119RAB9ANPC1
SCHEMBL2583675 0.84 GPR119 (0.48) ACACBGPR119
SCHEMBL14729087 0.83 GPR119 (0.43) GPR119SCD
SCHEMBL2585822 0.82 RAB9A (0.40) GPR119RAB9ANPC1ALDH1A1MAPT
SCHEMBL14729077 0.82 GPR119 (0.58) GPR119
SCHEMBL2590925 0.81 RAB9A (0.60) RAB9ANPC1ALDH1A1MAPTHTT
SCHEMBL2592856 0.81 GPR119 (0.46) ACACBGPR119RAB9ANPC1ALDH1A1
SCHEMBL2583777 0.80 GPR119 (0.41) ACACBGPR119
SCHEMBL2585509 0.80 GPR119 (0.58) GPR119RAB9ANPC1

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 ACACB 4238/4885GPR119 1/4885RAB9A 579/4885

“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.