SCHEMBL12892152

SCHEMBL12892152

COC(=O)CC(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.48
MMP13 P45452 1/20 0.45
PIK3CD O00329 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIK3CA P42336 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
FAAH O00519 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGB5 P18084 1/20 0.40
TGFBR1 P36897 1/20 0.39

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
SCHEMBL8345087 0.92 GPR119 (0.47) GPR119MMP13PIK3CDALDH1A1NPC1
SCHEMBL12892147 0.84 GPR119 (0.51) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL10154226 0.83 ITGB3 (0.41) ALDH1A1ITGB3ITGAVITGA2BITGB5
SCHEMBL8346467 0.82 KDM4E (0.43) GPR119MMP13KDM4EPKMFAAH
SCHEMBL10154224 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5
SCHEMBL20601517 0.80 GPR119 (0.52) GPR119MMP13PIK3CDALDH1A1NPC1
SCHEMBL20601518 0.80 GPR119 (0.52) GPR119MMP13PIK3CDALDH1A1NPC1
SCHEMBL2900012 0.77 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5
Formic Acid SCHEMBL20601489 0.77 GPR119 (0.49) GPR119MMP13PIK3CDALDH1A1NPC1
SCHEMBL8345325 0.76 GPR119 (0.51) GPR119MMP13PIK3CDALDH1A1KDM4E

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 1579/4885MMP13 2111/4885PIK3CD 1718/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B GPR119 1579/4885MMP13 2111/4885PIK3CD 1718/4885

“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.