SCHEMBL304209

SCHEMBL304209

COc1c([Si](C)(C)C)ccc2c1nnn2C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.35
SLC9A1 P19634 1/20 0.34
KEAP1 Q14145 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.32
HCAR3 P49019 1/20 0.31
AHR P35869 1/20 0.30

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
SCHEMBL31207209 0.72 LMNA (0.37) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL8524627 0.72 NNMT (0.39) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL9134619 0.72 SLC9A1 (0.47) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL12302294 0.71 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL31444061 0.71 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9534063 0.66 SLC9A1 (0.39) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL31474375 0.62 SLC9A1 (0.48) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL4047823 0.61 NQO2 (0.42) RAB9ASMN1; SMN2KDM4ETSHRMAPT
SCHEMBL16830895 0.60 KDM4E (0.37) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL31475796 0.60 KDM4E (0.37) NPC1RAB9ASMN1; SMN2LMNATP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
EP-2152707-B1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 US disclosed
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
EP-2152707-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-02-17 EP disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2008137436-A1 [6,5]-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 (2 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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 NPC1 720/4885RAB9A 481/4885SMN1; SMN2 3059/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 NPC1 720/4885RAB9A 481/4885SMN1; SMN2 3059/4885

“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.