SCHEMBL3381452

SCHEMBL3381452

Cc1ccc(C)n1-c1ccc2[nH]cc(CCC3CCCN3C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.66
HTR1B P28222 6/20 0.57
HTR1D P28221 4/20 0.57
HTR1A P08908 2/20 0.54
GABRP O00591 5/20 0.51
GABRD O14764 5/20 0.51
GABRA1 P14867 5/20 0.51
GABRB1 P18505 5/20 0.51
GABRG2 P18507 5/20 0.51
GABRB3 P28472 5/20 0.51
GABRA5 P31644 5/20 0.51
GABRA3 P34903 5/20 0.51
GABRA2 P47869 5/20 0.51
GABRB2 P47870 5/20 0.51
GABRA4 P48169 5/20 0.51
GABRE P78334 5/20 0.51
GABRA6 Q16445 5/20 0.51
GABRG1 Q8N1C3 5/20 0.51
GABRG3 Q99928 5/20 0.51
GABRQ Q9UN88 5/20 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
SCHEMBL3381446 1.00 SLC6A4 (0.66) SLC6A4HTR1BHTR1DHTR1AGABRP
SCHEMBL1122820 0.89 HTR1B (0.73) HTR1BHTR1DHTR1AGABRPGABRD
SCHEMBL1803906 0.89 HTR1B (0.73) HTR1BHTR1DHTR1AGABRPGABRD
SCHEMBL1122822 0.89 HTR1B (0.73) HTR1BHTR1DHTR1AGABRPGABRD
SCHEMBL3381424 0.82 SLC6A4 (0.71) SLC6A4HTR1BHTR1DHTR1AHTR6
SCHEMBL3381418 0.82 SLC6A4 (0.71) SLC6A4HTR1BHTR1DHTR1AHTR6
SCHEMBL27712671 0.79 HTR6 (0.76) SLC6A4HTR1BHTR1DHTR1AHTR6
SCHEMBL7850275 0.79 GABRP (0.61) HTR1BHTR1DHTR1AGABRPGABRD
SCHEMBL7850277 0.79 GABRP (0.61) HTR1BHTR1DHTR1AGABRPGABRD
SCHEMBL12253751 0.78 HTR1B (0.47) HTR1BHTR1DHTR1AGABRPGABRD

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-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 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 (3 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-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 SLC6A4 215/4885HTR1B 221/4885HTR1D 511/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 SLC6A4 215/4885HTR1B 221/4885HTR1D 511/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 SLC6A4 215/4885HTR1B 221/4885HTR1D 511/4885

“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.