SCHEMBL12892147

SCHEMBL12892147

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.51
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP3A5 P20815 1/20 0.45
KDM1A O60341 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
NAMPT P43490 1/20 0.43
KCNA5 P22460 2/20 0.42
FAAH O00519 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL8343875 0.86 GPR119 (0.48) GPR119ITGB3ITGA2BKDM4EPKM
SCHEMBL16299411 0.85 ITGB3 (0.49) ITGB3ITGA2BKDM4EKCNA5ALDH1A1
SCHEMBL12892152 0.84 GPR119 (0.48) GPR119ITGB3ITGA2BKDM4EPKM
SCHEMBL10154221 0.83 ITGB3 (0.53) ITGB3ITGA2BNAMPTKCNA5ALDH1A1
SCHEMBL10154215 0.83 ITGB3 (0.50) ITGB3ITGA2BCYP3A4KCNA5ALDH1A1
SCHEMBL8346467 0.81 KDM4E (0.43) GPR119ITGB3ITGA2BKDM4EPKM
SCHEMBL25267750 0.81 GPR119 (0.57) GPR119KDM4EPKMCYP3A4CYP3A5
SCHEMBL12892146 0.81 ITGB3 (0.57) ITGB3ITGA2BKCNA5
SCHEMBL8345100 0.79 KDM4E (0.55) GPR119KDM4EPKMKDM1ANPC1
SCHEMBL2282506 0.78 GPR119 (0.60) GPR119CYP3A4CYP3A5KEAP1NFE2L2

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 1579/4885ITGB3 1/4885ITGA2B 3/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B GPR119 1579/4885ITGB3 1/4885ITGA2B 3/4885

“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.