SCHEMBL4131758

SCHEMBL4131758

CC(C)(C)OC(=O)N1CCN([C@@H]2c3ccccc3C[C@H]2O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
MAPK1 P28482 1/20 0.45
PDK2 Q15119 1/20 0.45
NAMPT P43490 3/20 0.45
TERT O14746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MMP9 P14780 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 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
SCHEMBL4131754 1.00 GPR119 (0.46) GPR119MAPK1PDK2NAMPTTERT
SCHEMBL27819319 0.85 GPR119 (0.47) GPR119MAPK1NAMPTTERTCHRM2
SCHEMBL4128319 0.81 SLC18A3 (0.43) NAMPT
SCHEMBL4128316 0.81 SLC18A3 (0.43) NAMPT
SCHEMBL9772303 0.78 SLC18A3 (0.41)
SCHEMBL7961950 0.78 SLC18A3 (0.41)
SCHEMBL6421245 0.78 NAMPT (0.49) GPR119MAPK1NAMPTTERTCHRM2
SCHEMBL6423382 0.77 CHRNA7 (0.51) GPR119NAMPTTERTCHRM2CHRM4
SCHEMBL4136361 0.76 MMP9 (0.39) GPR119NAMPTTERTCHRM2CHRM4
SCHEMBL4136363 0.76 MMP9 (0.39) GPR119NAMPTTERTCHRM2CHRM4

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-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US disclosed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 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-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R GPR119 391/4885MAPK1 1393/4885PDK2 984/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R GPR119 391/4885MAPK1 1393/4885PDK2 984/4885

“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.