SCHEMBL2676005

SCHEMBL2676005

CN1CCC(C2C(=O)Nc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ACHE P22303 1/20 0.46
GAA P10253 1/20 0.44
PGR P06401 1/20 0.44
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL2675756 0.80 HTR1D (0.41) KMT2AACHEGAA
SCHEMBL11427314 0.73 PGR (0.72) ALDH1A1MEN1KMT2AGAAPGR
SCHEMBL6641968 0.71 NOS3 (0.51) ALDH1A1MEN1KMT2AGAAPGR
SCHEMBL8033572 0.71 ACHE (0.46) ALDH1A1MEN1KMT2AACHEGAA
SCHEMBL11427311 0.70 PGR (0.50) ALDH1A1MEN1KMT2AGAAPGR
SCHEMBL19370850 0.70 PGR (0.50) ALDH1A1MEN1KMT2AGAAPGR
SCHEMBL13329821 0.69 HIF1A (0.44) ALDH1A1MEN1KMT2AACHEGAA
SCHEMBL9592880 0.68 ACHE (0.60) ALDH1A1ACHESMN1; SMN2PKMCYP1A2
SCHEMBL14721486 0.68 BRD4 (0.59) ALDH1A1SMN1; SMN2AKR1B1
SCHEMBL1347263 0.68 CRBN (0.46) ALDH1A1KMT2AGAAPGRSMN1; SMN2

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-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
EP-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 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 (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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 ALDH1A1 1027/4885MEN1 3486/4885KMT2A 2245/4885

“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.