SCHEMBL6887440

SCHEMBL6887440

CN1C2CCCC1CC(Nc1ccccc1Cl)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.69
HTR3E A5X5Y0 2/20 0.69
HTR3B O95264 2/20 0.69
CHRNB2 P17787 2/20 0.69
CHRNA3 P32297 2/20 0.69
CHRNA4 P43681 2/20 0.69
HTR3A P46098 2/20 0.69
HTR3D Q70Z44 2/20 0.69
HTR3C Q8WXA8 2/20 0.69
CHRM4 P08173 1/20 0.69
CHRM5 P08912 1/20 0.69
CHRNB4 P30926 1/20 0.69
HRH1 P35367 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
KAT2B Q92831 2/20 0.46
CHRM1 P11229 3/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
BRD4 O60885 1/20 0.42

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
SCHEMBL6890303 1.00 CHRNA7 (0.69) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL2190762 1.00 CHRNA7 (0.69) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL6892215 0.83 CHRNA3 (0.71) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL6886540 0.83 CHRNA3 (0.71) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL2187255 0.82 CHRNA3 (0.69) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL6887110 0.82 HTR3A (0.69) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL2188457 0.82 CHRNA3 (1.00) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL6891582 0.82 HTR3A (0.69) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL6886384 0.82 CHRNA3 (1.00) CHRNA7HTR3EHTR3BCHRNB2CHRNA3
SCHEMBL6887585 0.82 HTR3A (0.69) CHRNA7HTR3EHTR3BCHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523562-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS ASTRAEA THERAPEUTICS LLC (US) 2019-01-02 EP disclosed
US-20180318270-A1 Selective High Affinity Alpha3Beta4 Nicotinic Acetycholine Receptor Antagonists ASTRAEA THERAPEUTICS LLC (US) 2018-11-08 US disclosed
US-10085975-B2 Selective high affinity α3β4 nicotinic acetylcholine receptor antagonists Astraea Therapeutics, Inc. (US) 2018-10-02 US disclosed
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-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-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-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-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
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 (5 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 CHRNA7 11/4885HTR3E 139/4885HTR3B 81/4885
US-20180318270-A1 Selective High Affinity Alpha3Beta4 Nicotinic Acetycholine Receptor Antagonists CHRNA3, CHRNA4, CHRNA2 CHRNA7 6/4885HTR3E 124/4885HTR3B 42/4885
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRNA3, CHRNA4, CHRNB3 CHRNA7 7/4885HTR3E 181/4885HTR3B 56/4885
US-10085975-B2 Selective high affinity α3β4 nicotinic acetylcholine receptor antagonists CHRNA3, CHRNA4, CHRNA2 CHRNA7 4/4885HTR3E 141/4885HTR3B 65/4885
US-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA4, CHRNA2 CHRNA7 4/4885HTR3E 172/4885HTR3B 73/4885

“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.