SCHEMBL3333575

SCHEMBL3333575

CCCCOc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HSPB1 P04792 2/20 0.54
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
GABRA5 P31644 1/20 0.46
CYP19A1 P11511 4/20 0.44
MGLL Q99685 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9850709 0.94 MAPT (0.52) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL9850854 0.94 MAPT (0.52) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL12173070 0.94 MAPT (0.52) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL14669487 0.93 NPC1 (0.52) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL17672793 0.92 HSPB1 (0.51) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL25696241 0.86 HSPB1 (0.47) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL12173143 0.86 HSPB1 (0.47) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL6643235 0.85 HSPB1 (0.54) MAPTNPC1RAB9AHSPB1L3MBTL1
SCHEMBL5004367 0.84 KMT2A (0.51) MAPTNPC1RAB9AHSPB1PKM
SCHEMBL14549594 0.84 HSPB1 (0.50) MAPTNPC1RAB9AHSPB1L3MBTL1

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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
CN-101679261-A Piperazine and piperidine mglur5 potentiators ASTRAZENECA AB 2010-03-24 CN disclosed
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 EP disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 MAPT 2485/4885NPC1 1641/4885RAB9A 1841/4885

“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.