SCHEMBL6892215

SCHEMBL6892215

Cc1ccccc1NC1CC2CCC[C@H](C1)N2C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.71
HTR3E A5X5Y0 2/20 0.71
HTR3B O95264 2/20 0.71
CHRNB2 P17787 2/20 0.71
CHRNA4 P43681 2/20 0.71
HTR3A P46098 2/20 0.71
HTR3D Q70Z44 2/20 0.71
HTR3C Q8WXA8 2/20 0.71
CHRNB4 P30926 2/20 0.71
CHRM4 P08173 1/20 0.71
CHRM5 P08912 1/20 0.71
HRH1 P35367 1/20 0.71
CHRNA7 P36544 1/20 0.71
TMEM97 Q5BJF2 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KAT2B Q92831 2/20 0.43
ATM Q13315 1/20 0.43
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
SCHEMBL6886540 1.00 CHRNA3 (0.71) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL6891582 0.83 HTR3A (0.69) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2187255 0.83 CHRNA3 (0.69) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2190762 0.83 CHRNA7 (0.69) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2188457 0.83 CHRNA3 (1.00) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL6887440 0.83 CHRNA7 (0.69) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL6886384 0.83 CHRNA3 (1.00) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL6887110 0.83 HTR3A (0.69) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL6887585 0.83 HTR3A (0.69) CHRNA3HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL6889593 0.83 CHRNA3 (1.00) CHRNA3HTR3EHTR3BCHRNB2CHRNA4

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 2/4885HTR3E 139/4885HTR3B 81/4885

“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.