SCHEMBL10154292

SCHEMBL10154292

CN(C(=O)OC(C)(C)C)c1cccc(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.52
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TGFBR1 P36897 3/20 0.45
GPR119 Q8TDV5 4/20 0.45
LIMK2 P53671 1/20 0.42
YAP1 P46937 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL10154288 0.85 USP30 (0.48) USP30KDM4EPKMMEN1KMT2A
SCHEMBL8346703 0.82 GPR119 (0.56) KDM4EPKMMEN1KMT2ATGFBR1
SCHEMBL3525137 0.82 KDM4E (0.55) KDM4EPKMMEN1KMT2ATGFBR1
SCHEMBL20601445 0.81 KDM4E (0.68) KDM4EPKMMEN1KMT2ATGFBR1
SCHEMBL3529399 0.79 KDM4E (0.52) KDM4EPKMMEN1KMT2ATGFBR1
SCHEMBL30848494 0.78 KDM4E (0.55) KDM4EPKMTGFBR1GPR119LIMK2
SCHEMBL8346803 0.78 KDM4E (0.55) KDM4EPKMTGFBR1GPR119LIMK2
SCHEMBL13930888 0.77 KDM4E (0.57) USP30KDM4EPKMMEN1KMT2A
SCHEMBL31747301 0.77 KDM4E (0.49) USP30KDM4EPKMMEN1KMT2A
SCHEMBL8347868 0.76 USP30 (0.44) USP30KDM4EPKMTGFBR1GPR119

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 8 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-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-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 USP30 3685/4885KDM4E 3297/4885PKM 3959/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B USP30 3685/4885KDM4E 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.