SCHEMBL9936756

SCHEMBL9936756

O=C(Oc1ccc([N+](=O)[O-])cc1C1CCC1)Oc1ccc([N+](=O)[O-])cc1C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
SLC18A3 Q16572 1/20 0.41
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.39
TTR P02766 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7467817 0.96 HSP90AA1 (0.63) HSP90AA1NPSR1L3MBTL1CHRNB4CHRNA3
SCHEMBL9936762 0.90 HSP90AA1 (0.56) HSP90AA1NPSR1L3MBTL1NOS3NOS1
SCHEMBL9936759 0.90 HSP90AA1 (0.56) HSP90AA1NPSR1L3MBTL1NOS3NOS1
SCHEMBL7467824 0.86 HSP90AA1 (0.62) HSP90AA1NPSR1L3MBTL1SLC18A3ALDH1A1
SCHEMBL27880608 0.86 HSP90AA1 (0.48) HSP90AA1NPSR1L3MBTL1GAAALDH1A1
SCHEMBL7467821 0.86 HSP90AA1 (0.62) HSP90AA1NPSR1L3MBTL1SLC18A3ALDH1A1
SCHEMBL26981773 0.84 HSP90AA1 (0.51) HSP90AA1NPSR1L3MBTL1CHRNB4CHRNA3
SCHEMBL11648739 0.81 HSP90AA1 (0.43) HSP90AA1NPSR1L3MBTL1CHRNB4CHRNA3
SCHEMBL8706962 0.81 HSP90AA1 (0.43) HSP90AA1NPSR1L3MBTL1NOS3NOS1
SCHEMBL1531299 0.76 TDP1 (0.57) HSP90AA1NPSR1L3MBTL1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
EP-2651931-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 HSP90AA1 3890/4885NPSR1 59/4885L3MBTL1 4852/4885

“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.