SCHEMBL6890751

SCHEMBL6890751

COc1ccccc1NC1CC2CCC[C@H](C1)N2C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 4/20 0.66
▸ HTR3E A5X5Y0 1/20 0.66
▸ HTR3B O95264 1/20 0.66
▸ CHRM4 P08173 1/20 0.66
▸ CHRM5 P08912 1/20 0.66
▸ CHRNB2 P17787 1/20 0.66
▸ CHRNB4 P30926 1/20 0.66
▸ CHRNA3 P32297 1/20 0.66
▸ HRH1 P35367 1/20 0.66
▸ CHRNA7 P36544 1/20 0.66
▸ CHRNA4 P43681 1/20 0.66
▸ TMEM97 Q5BJF2 1/20 0.66
▸ HTR3D Q70Z44 1/20 0.66
▸ HTR3C Q8WXA8 1/20 0.66
▸ SIGMAR1 Q99720 1/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ DRD2 P14416 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL6887466 1.00 HTR3A (0.66) HTR3AHTR3EHTR3BCHRM4CHRM5
SCHEMBL16838597 0.84 HTR3A (0.60) HTR3AHTR3EHTR3BCHRM4CHRM5
SCHEMBL6886595 0.84 HTR3A (0.60) HTR3AHTR3EHTR3BCHRM4CHRM5
SCHEMBL1646836 0.81 LMNA (0.55) SMN1; SMN2DRD2LMNANPSR1MAPT
SCHEMBL10541879 0.81 SMN1; SMN2 (0.62) HTR3ASMN1; SMN2RECQLDRD2CYP3A4
SCHEMBL6892215 0.81 CHRNA3 (0.71) HTR3AHTR3EHTR3BCHRM4CHRM5
SCHEMBL6886540 0.81 CHRNA3 (0.71) HTR3AHTR3EHTR3BCHRM4CHRM5
SCHEMBL6888233 0.79 HTR3A (0.69) HTR3AHTR3EHTR3BCHRM4CHRM5
SCHEMBL6889593 0.79 CHRNA3 (1.00) HTR3AHTR3EHTR3BCHRM4CHRM5
SCHEMBL2190762 0.79 CHRNA7 (0.69) HTR3AHTR3EHTR3BCHRM4CHRM5

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 HTR3A 51/4885HTR3E 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.

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