SCHEMBL14729013

SCHEMBL14729013

O=C(OCC1CCC1)N1CCC(Oc2nc3ccc(N4CCN(S(=O)(=O)CCCO)CC4)cc3s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.38
ACACB O00763 1/20 0.34
NAAA Q02083 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
NPBWR1 P48145 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL14729017 0.98 GPR119 (0.36) GPR119ACACBNAAAKDM4EALDH1A1
SCHEMBL14729011 0.90 GPR119 (0.36) GPR119ACACBKDM4EALDH1A1CYP2D6
SCHEMBL14729009 0.89 ACACB (0.36) GPR119ACACBKDM4EALDH1A1CYP2D6
SCHEMBL14729022 0.88 GPR119 (0.36) GPR119ACACBKDM4EALDH1A1CYP2D6
SCHEMBL14729023 0.85 GPR119 (0.34) GPR119ACACBKDM4EALDH1A1CYP2D6
SCHEMBL14729014 0.83 GPR119 (0.40) GPR119ACACB
SCHEMBL14729016 0.81 GPR119 (0.40) GPR119ACACB
SCHEMBL14729033 0.80 GPR119 (0.39) GPR119NAAANPC1MAPT
SCHEMBL14729156 0.80 GPR119 (0.42) GPR119NPC1MAPT
SCHEMBL14728968 0.80 GPR119 (0.42) GPR119NPC1RAB9AMAPT

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 GPR119 1/4885ACACB 4238/4885NAAA 2304/4885

“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.