SCHEMBL14729009

SCHEMBL14729009

CC(C)(O)CCS(=O)(=O)N1CCN(c2ccc3nc(OC4CCN(C(=O)OCC5CCC5)CC4)sc3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
GPR119 Q8TDV5 10/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL14729011 0.96 GPR119 (0.36) ACACBGPR119KDM4EALDH1A1CYP2D6
SCHEMBL14729013 0.89 GPR119 (0.38) ACACBGPR119KDM4EALDH1A1CYP2D6
SCHEMBL14729019 0.88 ACACB (0.36) ACACBGPR119KDM4EALDH1A1CYP2D6
SCHEMBL14729017 0.88 GPR119 (0.36) ACACBGPR119KDM4EALDH1A1CYP2D6
SCHEMBL14729021 0.84 GPR119 (0.36) ACACBGPR119KDM4EALDH1A1CYP2D6
SCHEMBL14729007 0.84 GPR119 (0.40) ACACBGPR119
SCHEMBL14729159 0.81 GPR119 (0.39) ACACBGPR119MAPT
SCHEMBL14729027 0.81 GPR119 (0.39) GPR119MAPT
SCHEMBL14728967 0.81 GPR119 (0.40) ACACBGPR119MAPT
SCHEMBL14729176 0.80 GPR119 (0.41) 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 4 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
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 ACACB 4238/4885GPR119 1/4885KDM4E 1820/4885

“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.