SCHEMBL14728980

SCHEMBL14728980

CC(C)(O)CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5nc6ccccc6s5)CC4)sc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.38
RAB9A P51151 7/20 0.37
NPC1 O15118 5/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACLY P53396 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
KMT2A Q03164 2/20 0.35
NAAA Q02083 2/20 0.35
PDE10A Q9Y233 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14728978 0.96 SCD (0.39) SCDRAB9ANPC1TSHRNPSR1
SCHEMBL14728977 0.91 GPR119 (0.41) SCDRAB9ANPC1TSHRNPSR1
SCHEMBL14728979 0.90 GPR119 (0.42) SCDRAB9ANPC1TSHRNPSR1
SCHEMBL14728897 0.89 GPR119 (0.42) SCDRAB9ANPC1TSHRNPSR1
SCHEMBL14729002 0.89 GPR119 (0.35) GPR119
SCHEMBL14729169 0.88 GPR119 (0.37) GPR119
SCHEMBL14729082 0.87 GPR119 (0.44) GPR119
SCHEMBL14729025 0.86 GPR119 (0.43) SCDGPR119
SCHEMBL14728933 0.86 GPR119 (0.48) GPR119
SCHEMBL14729194 0.86 GPR119 (0.42) GPR119

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
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
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

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 SCD 1621/4885RAB9A 579/4885NPC1 967/4885

“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.