SCHEMBL6889593

SCHEMBL6889593

CN1C2CCC[C@@H]1CC(Nc1ccccc1Br)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 1.00
HTR3A P46098 3/20 1.00
HTR3E A5X5Y0 2/20 1.00
HTR3B O95264 2/20 1.00
CHRNB2 P17787 2/20 1.00
CHRNA4 P43681 2/20 1.00
HTR3D Q70Z44 2/20 1.00
HTR3C Q8WXA8 2/20 1.00
CHRNB4 P30926 2/20 1.00
CHRM4 P08173 1/20 1.00
CHRM5 P08912 1/20 1.00
HRH1 P35367 1/20 1.00
CHRNA7 P36544 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
SLC22A2 O15244 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
KAT2B Q92831 2/20 0.40
SLC6A2 P23975 2/20 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
SCHEMBL2188457 1.00 CHRNA3 (1.00) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL6886384 1.00 CHRNA3 (1.00) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL6885989 0.84 SIGMAR1 (0.72) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL6892215 0.83 CHRNA3 (0.71) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL6886540 0.83 CHRNA3 (0.71) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2187255 0.82 CHRNA3 (0.69) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL6887110 0.82 HTR3A (0.69) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL2190762 0.82 CHRNA7 (0.69) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL6887440 0.82 CHRNA7 (0.69) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL6891582 0.82 HTR3A (0.69) CHRNA3HTR3AHTR3EHTR3BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062042-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2015-06-23 US disclosed
US-20110172264-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS ASTRAEA THERAPEUTICS, LLC 2011-07-14 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-20110172264-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA4, CHRNA3, CHRNA6 CHRNA3 2/4885HTR3A 51/4885HTR3E 139/4885

“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.