SCHEMBL1902114

SCHEMBL1902114

CC(C)(C)OC(=O)COCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
GRM5 P41594 1/20 0.46
CYP3A4 P08684 2/20 0.46
NAPRT Q6XQN6 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
RIPK1 Q13546 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
RAB9A P51151 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 1/20 0.41
LATS1 O95835 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
SCHEMBL18997784 0.82 HSD11B1 (0.53) HSD11B1GRM5CYP3A4NAPRTCYP1A2
SCHEMBL1904515 0.82 CYP17A1 (0.45) GRM5RAB9ACYP17A1CYP19A1LATS1
SCHEMBL9784190 0.82 NAPRT (0.57) CYP3A4NAPRTCYP1A2CYP2C9RIPK1
SCHEMBL3110938 0.82 L3MBTL1 (0.49) GRM5ALDH1A1MAPT
SCHEMBL3583709 0.81 HSD11B1 (0.55) HSD11B1GRM5CYP3A4NAPRTCYP1A2
SCHEMBL19002297 0.80 HSD11B1 (0.57) HSD11B1GRM5CYP3A4NAPRTCYP1A2
SCHEMBL24768082 0.79 CYP17A1 (0.49) CYP3A4NAPRTCYP1A2CYP2C9RIPK1
SCHEMBL29059890 0.79 TBXAS1 (0.51) CYP3A4NAPRTCYP1A2CYP2C9LMNA
SCHEMBL361358 0.79 NAPRT (0.61) HSD11B1GRM5CYP3A4NAPRTCYP1A2
SCHEMBL12735946 0.78 POLB (0.37) HSD11B1LMNAALDH1A1MAPTKDM4E

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-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
EP-1979320-B1 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1246810-B1 PIPERIDINYLOXY AND PYRROLIDINYLOXYPHENYL OXAZOLIDINONES AS ANTIBACTERIALS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed
US-6518285-B2 4-oxo-5-oxazolidineylmethyl derivatives; antibacterials which are active against numerous multidrug-resistant gram positive organisms ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-02-11 US disclosed
US-20020103377-A1 Piperidinyloxy and pyrrolidinyloxy oxazolidinone antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-01 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-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators GRM5, GRM1, GRIN1 HSD11B1 4313/4885GRM5 1/4885CYP3A4 3938/4885
US-20020103377-A1 Piperidinyloxy and pyrrolidinyloxy oxazolidinone antibacterials OXA1L, RPS27L, RPS27 HSD11B1 3574/4885GRM5 3846/4885CYP3A4 1831/4885

“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.