SCHEMBL1902113

SCHEMBL1902113

CC(OCC(=O)O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
CYP17A1 P05093 2/20 0.43
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ACACB O00763 1/20 0.38
KCNA5 P22460 2/20 0.37
NAPRT Q6XQN6 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL16672851 0.83 FFAR1 (0.49) TSHRALDH1A1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL1904663 0.79 CYP19A1 (0.39) CYP19A1CYP17A1TSHRL3MBTL1ACACB
SCHEMBL1533096 0.79 ALDH1A1 (0.42) TSHRALDH1A1GAALMNAHTT
SCHEMBL11540167 0.76 TSHR (0.41) TSHRALDH1A1LMNAFFAR1
SCHEMBL22824119 0.75 CYP3A4 (0.40) CYP19A1CYP17A1TSHRALDH1A1L3MBTL1
SCHEMBL14762668 0.75 MAPT (0.48) TSHRALDH1A1L3MBTL1GAAHTT
SCHEMBL11307778 0.75 FFAR1 (0.49) TSHRALDH1A1LMNAFFAR1
SCHEMBL28524514 0.73 FFAR1 (0.60) TSHRALDH1A1ACACBFFAR1
SCHEMBL14762470 0.72 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2FFAR1
SCHEMBL10516365 0.72 CYP19A1 (0.54) CYP19A1CYP17A1TSHRALDH1A1L3MBTL1

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 9 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
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
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 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-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators GRM5, GRM1, GRIN1 CYP19A1 3167/4885CYP17A1 4215/4885TSHR 712/4885

“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.