SCHEMBL2592954

SCHEMBL2592954

O=C(O)N1CCC(c2ccc3nc(OC4CCNCC4)sc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.38
TLR9 Q9NR96 4/20 0.37
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 4/20 0.37
PDE4B Q07343 9/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SNCA P37840 1/20 0.36
DYRK1A Q13627 1/20 0.36
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL2589502 0.87 PDE4B (0.47) TLR9TLR8TLR7PDE4BCHEK2
SCHEMBL12177984 0.85 QDPR (0.39) ACACBTLR9TLR8TLR7
SCHEMBL2591382 0.81 PDE4B (0.40) ACACBTLR9TLR8TLR7PDE4B
SCHEMBL14719113 0.81 SCD (0.39) ACACB
SCHEMBL14718387 0.78 QDPR (0.36) ACACBSNCADYRK1ACHEK2
SCHEMBL2589683 0.78 ACACB (0.55) ACACBDYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL2594247 0.74 GPR119 (0.36)
SCHEMBL2591565 0.72 ACACB (0.53) ACACBDYRK1ASLC6A4CYP1A2CYP3A4
SCHEMBL12177979 0.72 MAPT (0.43) CYP2C9
SCHEMBL2591259 0.71 GPR119 (0.43)

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 5 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
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
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 4238/4885TLR9 315/4885TLR8 1063/4885

“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.