SCHEMBL9256413

SCHEMBL9256413

CCc1cnc(N2CCC(Oc3ccc(-n4ccc5cc(C(=O)NCCO)ccc54)nc3)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.44
PLK1 P53350 5/20 0.40
PLK2 Q9NYY3 5/20 0.40
PLK3 Q9H4B4 3/20 0.40
ACACB O00763 1/20 0.40
ROCK1 Q13464 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9268476 0.96 ACACB (0.42) GPR119PLK1PLK2PLK3ACACB
SCHEMBL15253291 0.93 GPR119 (0.46) GPR119PLK1PLK2PLK3ACACB
SCHEMBL15253301 0.91 GPR119 (0.45) GPR119PLK1PLK2PLK3ACACB
SCHEMBL9267845 0.91 GPR119 (0.46) GPR119PLK1PLK2PLK3
SCHEMBL8531382 0.90 GPR119 (0.43) GPR119PLK1PLK2PLK3ACACB
SCHEMBL8533577 0.89 PLK1 (0.46) GPR119PLK1PLK2PLK3ACACB
SCHEMBL8537175 0.89 GPR119 (0.47) GPR119ACACB
SCHEMBL8514823 0.86 GPR119 (0.46) GPR119ACACB
SCHEMBL15253207 0.86 GPR119 (0.42) GPR119PLK1PLK2PLK3ROCK1
SCHEMBL8537144 0.85 KMT2A (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US claimed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US claimed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 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-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 GPR119 1/4885PLK1 2883/4885PLK2 2846/4885

“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.