SCHEMBL4131599

SCHEMBL4131599

CCNC1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.69
NOS1 P29475 8/20 0.69
SLC6A2 P23975 6/20 0.69
HTR1D P28221 10/20 0.48
NOS2 P35228 1/20 0.47
HTR1E P28566 2/20 0.46
HTR1A P08908 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL12367651 0.93 NOS3 (0.62) NOS3NOS1SLC6A2HTR1DNOS2
SCHEMBL2264612 0.93 NOS3 (0.62) NOS3NOS1SLC6A2HTR1DNOS2
SCHEMBL1122317 0.90 NOS3 (0.67) NOS3NOS1SLC6A2HTR1DNOS2
SCHEMBL12621060 0.90 NOS3 (0.67) NOS3NOS1SLC6A2HTR1DNOS2
SCHEMBL13850013 0.88 NOS3 (0.53) NOS3NOS1SLC6A2HTR1DNOS2
SCHEMBL12305088 0.87 NOS3 (0.53) NOS3NOS1SLC6A2HTR1DNOS2
SCHEMBL12367706 0.86 NOS3 (0.54) NOS3NOS1SLC6A2HTR1DNOS2
SCHEMBL12621064 0.84 NOS3 (0.66) NOS3NOS1SLC6A2NOS2
SCHEMBL1121973 0.84 NOS3 (0.66) NOS3NOS1SLC6A2NOS2
SCHEMBL13850668 0.84 NOS3 (0.53) NOS3NOS1SLC6A2NOS2

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
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
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 NOS3 3/4885NOS1 5/4885SLC6A2 1/4885

“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.