SCHEMBL416250

SCHEMBL416250

O=C1CCN2CCCC1C2

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3B O95264 1/20 0.30
ADRA2A P08913 1/20 0.30
KCNE1 P15382 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR3A P46098 1/20 0.30
KCNQ1 P51787 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL3401334 0.98
Hydrochloric Acid SCHEMBL6348949 0.98
SCHEMBL557849 0.86
Hydrochloric Acid SCHEMBL13737719 0.84 CHRNA7 (0.34) CHRM3
SCHEMBL8303605 0.83 SLC18A3 (0.31)
SCHEMBL7951217 0.80
SCHEMBL1297748 0.80
SCHEMBL7947695 0.80
SCHEMBL14490824 0.74
SCHEMBL557562 0.72 CHRNB2 (0.32) CHRNA4

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050137225-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands KOHN HAROLD (US) 2005-06-23 US claimed
WO-2004013143-A2 AZA-BRIDGED BICYCLIC AMINE DERIVATIVES FOR USE AS NOVEL CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-02-12 WO claimed
US-20040029911-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands NORTH CAROLINA, UNIVERSITY OF, THE 2004-02-12 US claimed
EP-3658546-B1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-10-26 EP disclosed
EP-3658546-A1 INDOLE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2020-06-03 EP disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 US disclosed
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-02-21 US disclosed
WO-2019021059-A1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-01-31 WO disclosed
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-5464842-A Azabicyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1995-11-07 US disclosed
US-5464842-A Azabicyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1995-11-07 US disclosed
EP-0625979-A1 AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-30 EP disclosed
US-5318978-A Azabicyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1994-06-07 US disclosed
EP-0337547-B1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME (GB) 1994-03-02 EP disclosed
WO-1993015073-A1 AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed
WO-1993008191-A1 AZABICYCLO OXIME AND AMINE CHOLINERGIC AGENTS AND METHODS OF TREATMENT WARNER-LAMBERT COMPANY (US) 1993-04-29 WO disclosed
US-4940703-A Spirocyclic compounds incorporating five-membered rings with two heteroatoms for treating psychotic disorders, etc. MERCK SHARP & DOHME LIMITED (GB) 1990-07-10 US disclosed
EP-0337547-A1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME LTD. (GB) 1989-10-18 EP 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-20050137225-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands CHRNA5, CHRNG, CHRNA4 HTR3B 182/4885ADRA2A 76/4885KCNE1 691/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR3B 19/4885ADRA2A 138/4885KCNE1 3027/4885
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF MYLK2, MYOF, MUSK HTR3B 1051/4885ADRA2A 2134/4885KCNE1 4663/4885
US-20040029911-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands CHRNA5, CHRNG, CHRNA4 HTR3B 182/4885ADRA2A 76/4885KCNE1 691/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK HTR3B 1051/4885ADRA2A 2134/4885KCNE1 4663/4885

“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.