SCHEMBL2267302

SCHEMBL2267302

CN1CCC[C@H]1CNc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CHRNA7 P36544 1/20 0.50
KAT2B Q92831 1/20 0.47
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
HTR6 P50406 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
ATM Q13315 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL2267304 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7KAT2BFPR3
SCHEMBL7106481 0.84 KAT2B (0.56) CHRNB2CHRNA4CHRNA7KAT2BHTR6
SCHEMBL4443892 0.84 KAT2B (0.56) CHRNB2CHRNA4CHRNA7KAT2BHTR6
SCHEMBL13162978 0.84 KAT2B (0.56) CHRNB2CHRNA4CHRNA7KAT2BHTR6
SCHEMBL30969256 0.79 KAT2B (0.45) CHRNB2CHRNA4CHRNA7KAT2BNPC1
SCHEMBL12824686 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA7KAT2BCHRNB4
SCHEMBL12824668 0.76 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7KAT2BCHRNB4
SCHEMBL11385086 0.76 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7HTR6DRD2
SCHEMBL22572988 0.74 KAT2B (0.46) CHRNB2CHRNA4CHRNA7KAT2BCHRNB4
SCHEMBL22572973 0.74 KAT2B (0.46) CHRNB2CHRNA4CHRNA7KAT2BCHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010527-B1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2013-08-14 EP disclosed
EP-2010527-B1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2013-08-14 EP disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
EP-2010527-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2009-01-07 EP disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 WO disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 WO 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-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 CHRNB2 423/4885CHRNA4 237/4885CHRNA7 308/4885

“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.