SCHEMBL15480243

SCHEMBL15480243

CNN=C(Nc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1)c1ccco1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.64
NOS1 P29475 2/20 0.64
HTR6 P50406 11/20 0.54
HTR1B P28222 8/20 0.54
HTR1D P28221 6/20 0.54
HTR1A P08908 3/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL15480024 1.00 NOS3 (0.64) NOS3NOS1HTR6HTR1BHTR1D
SCHEMBL12305208 0.88 NOS3 (0.66) NOS3NOS1HTR6HTR1BHTR1D
SCHEMBL12305073 0.88 NOS3 (0.66) NOS3NOS1HTR6HTR1BHTR1D
SCHEMBL1122527 0.88 NOS3 (0.66) NOS3NOS1HTR6HTR1BHTR1D
Hydrochloric Acid SCHEMBL1122009 0.87 NOS3 (0.65) NOS3NOS1HTR6HTR1BHTR1D
SCHEMBL1122534 0.78 NOS3 (1.00) NOS3NOS1HTR6HTR1BHTR1D
SCHEMBL8788591 0.78 HTR1B (0.65) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL8788586 0.78 HTR1B (0.65) HTR6HTR1BHTR1DHTR1AHTR2A
Hydrochloric Acid SCHEMBL1122010 0.78 NOS3 (0.98) NOS3NOS1HTR6HTR1BHTR1D
SCHEMBL8119548 0.77 HTR1B (0.64) HTR6HTR1BHTR1DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 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-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885HTR6 274/4885

“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.