SCHEMBL2589683

SCHEMBL2589683

O=C(O)N1CCC(Oc2nc3ccc(Br)cc3s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.55
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
STAT3 P40763 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DYRK1A Q13627 1/20 0.41
PPARA Q07869 2/20 0.41
CLK1 P49759 2/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
HPGD P15428 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
SCHEMBL2591241 0.85 ACACB (0.53) ACACBRAB9ANPC1
SCHEMBL2592476 0.80 HRH3 (0.42) ACACBRAB9ANPC1
SCHEMBL22131998 0.79 ACACB (0.55) ACACBRAB9ANPC1HTTMAPT
SCHEMBL2591259 0.79 GPR119 (0.43) ALDH1A1CLK1LMNA
SCHEMBL2592883 0.78 LTA4H (0.48) ACACBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2592954 0.78 ACACB (0.38) ACACBCYP1A2CYP3A4CYP2C9DYRK1A
SCHEMBL2591565 0.77 ACACB (0.53) ACACBRAB9ANPC1HTTMAPT
SCHEMBL14719201 0.75 RAB9A (0.79) RAB9ANPC1HTTMAPTALDH1A1
SCHEMBL2591931 0.75 RAB9A (0.48) ACACBRAB9ANPC1HTTMAPT
SCHEMBL2583763 0.75 SCD (0.47) ACACBRAB9ANPC1HTTMAPT

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 4238/4885RAB9A 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.