SCHEMBL1594855

SCHEMBL1594855

CN1CCC(n2cnc3cc([N+](=O)[O-])ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
PKM P14618 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 1/20 0.43
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 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
SCHEMBL22449397 0.89 ALDH1A1 (0.56) ALDH1A1PKMHPGDMAPTL3MBTL1
SCHEMBL22449395 0.87 ALDH1A1 (0.53) ALDH1A1PKMHPGDMAPTL3MBTL1
SCHEMBL26758091 0.84 L3MBTL1 (0.63) ALDH1A1HPGDMAPTL3MBTL1KMT2A
SCHEMBL1864820 0.80 HCAR1 (0.52) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL17338776 0.80 FGFR1 (0.55) ALDH1A1PKMHPGDMAPTL3MBTL1
SCHEMBL15344915 0.78 DRD2 (0.50) ALDH1A1HPGDDRD2SLC6A4KMT2A
SCHEMBL3354240 0.78 HTR7 (0.45) ALDH1A1PKMMAPTDRD2SLC6A4
Imidazole SCHEMBL28191367 0.78 ALDH1A1 (0.43) ALDH1A1PKMHPGDMAPTL3MBTL1
SCHEMBL7033971 0.77 FGFR1 (0.52) ALDH1A1HPGDMAPTL3MBTL1SMN1; SMN2
SCHEMBL3352685 0.77 MAPT (0.47) ALDH1A1MAPTACHEHIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919510-B2 treatment or prevention of chronic pain, acute pain, migraine, and neuropathic pain; selectively inhibits neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS) and/or inducible nitric oxide synthase (iNOS) NEURAXON, INC (CA) 2011-04-05 US disclosed
US-7919510-B2 treatment or prevention of chronic pain, acute pain, migraine, and neuropathic pain; selectively inhibits neuronal nitric oxide synthase (nNOS) over endothelial nitric oxide synthase (eNOS) and/or inducible nitric oxide synthase (iNOS) NEURAXON, INC (CA) 2011-04-05 US disclosed
EP-1888568-A4 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON INC (CA) 2009-08-12 EP disclosed
US-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity NEURAXON, INC (CA) 2008-09-04 US disclosed
US-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity NEURAXON, INC (CA) 2008-09-04 US disclosed
EP-1888568-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY Neuraxon Inc. (CA) 2008-02-20 EP disclosed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO disclosed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 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-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity OPRM1, NOS1, OPRK1 ALDH1A1 1605/4885PKM 2209/4885HPGD 530/4885

“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.