SCHEMBL61020

SCHEMBL61020

CN(C)CCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.96
TAAR1 Q96RJ0 1/20 0.71
AOC3 Q16853 1/20 0.61
KCNH2 Q12809 2/20 0.60

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
SCHEMBL9151137 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
SCHEMBL10726207 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
SCHEMBL9670745 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
SCHEMBL5721858 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
Hydrochloric Acid SCHEMBL5084990 0.98 SIGMAR1 (0.92) SIGMAR1TAAR1AOC3KCNH2
SCHEMBL8498144 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
SCHEMBL2117266 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
SCHEMBL8079373 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
SCHEMBL22442307 0.98 SIGMAR1 (1.00) SIGMAR1TAAR1AOC3KCNH2
Iodide SCHEMBL5091516 0.98 SIGMAR1 (0.92) SIGMAR1TAAR1AOC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149053-A1 BICYCL0 [2. 2. 1] HE PT- 2-YLAMINE DERIVATES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2008-12-11 WO claimed
WO-2008096094-A1 BICYCLOR[2.2.1]HEPT-7-YLAMINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR MODULATORS ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO claimed
EP-1924553-A1 BICYCLO[2.2.]HEPT-7-YLAMINE DERIVATIVES AND THEIR USES Argenta Discovery Limited (GB) 2008-05-28 EP claimed
WO-2007017670-A1 BICYCLO[2.2.]HEPT-7-YLAMINE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO claimed
EP-1187244-A2 Organic amines as additives for electrochemical cells MERCK PATENT GmbH (DE) 2002-03-13 EP claimed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
WO-2021026109-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-11 WO disclosed
US-10611786-B2 Manganese (III) catalyzed C—H aminations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-04-07 US disclosed
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-11 US disclosed
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-11 US disclosed
US-20030157407-A1 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1313158-A2 Electrode material for rechargeable lithium battery, electrode comprising said electrode material, rechargeable lithium battery having said electrode , and process for the production thereof CANON KABUSHIKI KAISHA (JP) 2003-05-21 EP disclosed
EP-1187244-A2 Organic amines as additives for electrochemical cells MERCK PATENT GmbH (DE) 2002-03-13 EP disclosed
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed
US-4395410-A Quaternary ammonium antiarrhythmic drugs ELI LILLY AND COMPANY (US) 1983-07-26 US disclosed
EP-0002604-B1 QUATERNARY AMMONIUM SALTS, AND THEIR FORMULATIONS AND PREPARATION ELI LILLY AND COMPANY (US) 1983-05-04 EP disclosed
US-4289787-A PROLONG ACTION POTENTIAL OF CARDIAC TISSUE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 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 (4 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-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 SIGMAR1 3647/4885TAAR1 3175/4885AOC3 2447/4885
US-10611786-B2 Manganese (III) catalyzed C—H aminations HLCS, NCL, NUDC SIGMAR1 3247/4885TAAR1 3565/4885AOC3 59/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SIGMAR1 2940/4885TAAR1 2823/4885AOC3 2579/4885
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS HLCS, NCL, NUDC SIGMAR1 3307/4885TAAR1 3425/4885AOC3 46/4885

“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.