SCHEMBL8345859

SCHEMBL8345859

COC(=O)C=C(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)OCC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.47
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP30 Q70CQ3 1/20 0.39
KDM1A O60341 1/20 0.39
YAP1 P46937 1/20 0.38
KMT2A Q03164 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
SCHEMBL13074864 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1RAB9A
SCHEMBL12892167 0.88 GPR119 (0.45) GPR119KDM4EPKMNPC1RAB9A
SCHEMBL10154230 0.86 KEAP1 (0.46) GPR119KDM4EPKMNPC1RAB9A
SCHEMBL12892176 0.85 NPC1 (0.46) GPR119NPC1RAB9AUSP30KMT2A
SCHEMBL10154297 0.81 KDM4E (0.50) GPR119KDM4EPKMNPC1RAB9A
SCHEMBL8344750 0.78 NPC1 (0.50) GPR119NPC1RAB9AUSP30KMT2A
SCHEMBL8345392 0.78 GPR119 (0.52) GPR119KDM4EPKM
SCHEMBL8344165 0.77 NPC1 (0.44) GPR119KDM4EPKMNPC1RAB9A
SCHEMBL8346699 0.77 MAPT (0.46) GPR119KDM4EPKMNPC1RAB9A
SCHEMBL8345175 0.75 GPR119 (0.47) GPR119KDM4EPKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS DE CORTE BART 2011-04-21 US disclosed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 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-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B GPR119 1579/4885KDM4E 3297/4885PKM 3959/4885

“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.