SCHEMBL2591810

SCHEMBL2591810

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.74
NPC1 O15118 9/20 0.74
MAPT P10636 4/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
PIK3CA P42336 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BACE1 P56817 1/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL25335026 0.91 RAB9A (0.61) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL13281549 0.88 RAB9A (0.56) RAB9ANPC1MAPTTP53LMNA
SCHEMBL20767905 0.88 MAPT (0.67) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL334527 0.87 NPC1 (0.74) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL20767913 0.87 TP53 (0.65) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL31349441 0.87 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL20767943 0.86 MAPT (0.69) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL26962611 0.86 NPC1 (0.62) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL29858330 0.86 NPC1 (0.62) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1980790 0.85 NPC1 (0.57) RAB9ANPC1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 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
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

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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 RAB9A 579/4885NPC1 967/4885MAPT 1165/4885
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof MAN2A1, MAN1B1, ALG1 RAB9A 1295/4885NPC1 1159/4885MAPT 3316/4885

“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.