SCHEMBL12892148

SCHEMBL12892148

COC(=O)/C=C(/CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.51
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
ALDH1A1 P00352 1/20 0.45
KDM1A O60341 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
FAAH O00519 1/20 0.43
NAMPT P43490 2/20 0.43
KIT P10721 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL12892153 0.84 GPR119 (0.52) GPR119KDM4EPKMALDH1A1FAAH
SCHEMBL5762340 0.84 GPR119 (0.58) GPR119KDM4EPKMCCNA2CDK2
SCHEMBL6979528 0.78 KDM4E (0.76) GPR119KDM4EPKMCCNA2CDK2
SCHEMBL7496204 0.77 KEAP1 (0.58) GPR119KDM4EPKMKDM1AKEAP1
SCHEMBL7548567 0.77 GPR119 (0.48) GPR119KDM4EPKMCCNA2CDK2
SCHEMBL7548577 0.77 GPR119 (0.48) GPR119KDM4EPKMCCNA2CDK2
SCHEMBL5772852 0.76 NAMPT (0.60) GPR119KDM4EPKMCCNA2CDK2
SCHEMBL408202 0.75 GPR119 (0.63) GPR119KDM4EPKMCCNA2CDK2
SCHEMBL31663064 0.75 GPR119 (0.57) GPR119KDM4EPKMCCNA2CDK2
SCHEMBL5241434 0.75 SMN1; SMN2 (0.53) FAAH

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 6 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
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 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 (2 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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B GPR119 1579/4885KDM4E 3297/4885PKM 3959/4885
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.