SCHEMBL6886652

SCHEMBL6886652

CN1C2CCCC1CC(Nc1c(F)cccc1F)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.55
CHRNA3 P32297 3/20 0.55
CHRNB4 P30926 2/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
HRH1 P35367 1/20 0.55
CHRNA7 P36544 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SCN9A Q15858 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL6888144 1.00 HTR3A (0.55) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL6885564 0.83 HTR3A (0.69) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL6892488 0.83 HTR3A (0.69) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL2145704 0.76 CHRNA3 (0.63) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL6904567 0.73 DDB1 (0.47) GAA
SCHEMBL13850002 0.72 CHRM4 (0.59) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL6886540 0.72 CHRNA3 (0.71) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL6892215 0.72 CHRNA3 (0.71) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL6885629 0.72 HTR3E (0.45) HTR3ACHRNA3CHRNB4HTR3EHTR3B
SCHEMBL6890421 0.72 HTR3E (0.45) HTR3ACHRNA3CHRNB4HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS Astraea Therapeutics (US) 2017-08-10 US disclosed
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS Astraea Therapeutics (US) 2017-08-10 US disclosed
US-9670198-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2017-06-06 US disclosed
US-9670198-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2017-06-06 US disclosed
US-9062042-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2015-06-23 US disclosed
US-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Astraea Therapeutics (US) 2015-05-28 US disclosed
US-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Astraea Therapeutics (US) 2015-05-28 US disclosed
US-20110172264-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS ASTRAEA THERAPEUTICS, LLC 2011-07-14 US disclosed
WO-2011085389-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS ASTRAEA THERAPEUTICS, LLC (US) 2011-07-14 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 (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-20110172264-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA4, CHRNA3, CHRNA6 HTR3A 51/4885CHRNA3 2/4885CHRNB4 9/4885
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRNA3, CHRNA4, CHRNB3 HTR3A 65/4885CHRNA3 1/4885CHRNB4 4/4885
US-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA4, CHRNA2 HTR3A 68/4885CHRNA3 1/4885CHRNB4 10/4885

“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.