SCHEMBL8345100

SCHEMBL8345100

COC(=O)CC(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
GPR119 Q8TDV5 3/20 0.52
STS P08842 1/20 0.47
TGFBR1 P36897 2/20 0.46
YAP1 P46937 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LIMK2 P53671 1/20 0.44
ATM Q13315 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL8346526 0.88 KDM4E (0.48) KDM4EPKMGPR119STSTGFBR1
SCHEMBL8019565 0.84 ITGB3 (0.47) KDM4EPKMGPR119TGFBR1YAP1
SCHEMBL8347868 0.84 USP30 (0.44) KDM4EPKMGPR119TGFBR1YAP1
SCHEMBL8032542 0.84 ITGB3 (0.47) KDM4EPKMGPR119TGFBR1YAP1
SCHEMBL10190478 0.83 KDM1A (0.42) ALDH1A1RAB9AKDM1A
SCHEMBL8343865 0.83 ALDH1A1 (0.45) KDM4EPKMGPR119STSTGFBR1
SCHEMBL8346477 0.82 KEAP1 (0.46) KDM4EPKMGPR119ALDH1A1HTT
SCHEMBL20618715 0.82 KDM4E (0.59) KDM4EPKMGPR119STSTGFBR1
SCHEMBL5381066 0.82 KDM4E (0.59) KDM4EPKMGPR119STSTGFBR1
SCHEMBL20601308 0.81 KDM4E (0.58) KDM4EPKMGPR119STSTGFBR1

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 10 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
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP 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
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 (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 KDM4E 3297/4885PKM 3959/4885GPR119 1579/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B KDM4E 3297/4885PKM 3959/4885GPR119 1579/4885

“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.