SCHEMBL2944241

SCHEMBL2944241

CCN(C(=O)OC(C)(C)C)C1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.66
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 3/20 0.42
HTR1D P28221 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 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
SCHEMBL12253741 1.00 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1DMEN1
SCHEMBL12367644 0.93 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL2946165 0.89 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1DNOS3
SCHEMBL12253720 0.89 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1DNOS3
SCHEMBL1122248 0.88 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1DMEN1
SCHEMBL1122249 0.88 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3HTR1DMEN1
SCHEMBL12367654 0.87 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL4146077 0.86 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL12253745 0.86 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HTR1D
SCHEMBL12367635 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220074-A1 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY Neuraxon, INC. (CA) 2010-08-25 EP disclosed
WO-2009062318-A1 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2009-05-22 WO disclosed
US-20090131503-A1 3,5 - SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY NEURAXON, INC (CA) 2009-05-21 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-20090131503-A1 3,5 - SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY SLC6A2, AANAT, NOS3 SLC6A4 4/4885SLC6A2 1/4885SLC6A3 7/4885

“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.