SCHEMBL2598533

SCHEMBL2598533

CC(C)(C)OC(=O)N1CCC(N2CC[C@H](Oc3ccc4[nH]ncc4c3)C2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
FPR2 P25090 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.41
CHRM4 P08173 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
CHEK2 O96017 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ROCK2 O75116 1/20 0.40
CCR2 P41597 1/20 0.40
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
NPBWR1 P48145 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
SCHEMBL2598532 1.00 PIK3CD (0.49) PIK3CDFPR2TP53HTTCHRM4
SCHEMBL5401649 0.85 PIK3CD (0.55) PIK3CDHTTCHRM4GPR119CHEK2
SCHEMBL2598596 0.83 CHRM4 (0.46) CHRM4ROCK2CCR2ROCK1
SCHEMBL2598593 0.83 CHRM4 (0.46) CHRM4ROCK2CCR2ROCK1
SCHEMBL5407903 0.78 PIK3CD (0.56) PIK3CDCHRM4GPR119CHEK2ROCK2
SCHEMBL5412169 0.78 CHEK2 (0.55) PIK3CDGPR119CHEK2IDO1TDO2
SCHEMBL797136 0.78 FPR2 (0.51) FPR2TP53GPR119CTSDCTSE
SCHEMBL789522 0.77 GPR119 (0.52) FPR2TP53GPR119
SCHEMBL789523 0.77 GPR119 (0.52) FPR2TP53GPR119
SCHEMBL9952336 0.76 FASN (0.52) PIK3CDHTTGPR119ROCK2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 US disclosed
EP-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 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 (1 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 PIK3CD 1727/4885FPR2 328/4885TP53 4790/4885

“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.