SCHEMBL123480

SCHEMBL123480

CCCC1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.54
GNAO1 P09471 3/20 0.47
GNAI3 P08754 2/20 0.47
GNAI1 P63096 2/20 0.47
ACHE P22303 2/20 0.43
HRH3 Q9Y5N1 3/20 0.42
SLC6A3 Q01959 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CYP1A2 P05177 1/20 0.37
HRH4 Q9H3N8 1/20 0.36

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
Fluoride SCHEMBL30330327 0.97 NCF1 (0.52) NCF1GNAO1GNAI3GNAI1ACHE
Cyanide SCHEMBL30330503 0.93 NCF1 (0.48) NCF1GNAO1GNAI3GNAI1ACHE
SCHEMBL25809268 0.91 NCF1 (0.46) NCF1GNAO1GNAI3GNAI1ACHE
SCHEMBL23251417 0.87
SCHEMBL255098 0.87
SCHEMBL13479302 0.87
Acetic Acid SCHEMBL30329842 0.87 GNAI3 (0.51) NCF1GNAO1GNAI3GNAI1ACHE
SCHEMBL26042799 0.87 OPRL1 (0.46) NCF1GNAO1GNAI3GNAI1ACHE
SCHEMBL26705170 0.87 NCF1 (0.43) NCF1GNAO1GNAI3GNAI1ACHE
SCHEMBL24319800 0.86 NCF1 (0.62) NCF1GNAO1GNAI3GNAI1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102906159-A Amine polymers as bile acid sequestrants RELYPSA INC 2013-01-30 CN claimed
CN-102858817-A Crosslinked polyvinylamines, polyallylamines and ethyleneimines for use as bile acid sequestrants RELYPSA INC 2013-01-02 CN claimed
US-4386009-A TRANSITION METAL CARBONYL AND TERTIARY AMINE CATALYTIC SYSTEM THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY (US) 1983-05-31 US claimed
WO-2024127022-A1 HETEROCYCLIC COMPOUNDS TARGETING THE NUDT5 PROTEIN OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-06-20 WO disclosed
WO-2024076670-A2 TETHERED HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed
WO-2024020221-A1 MODULATORS OF TYK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-01-25 WO disclosed
US-20240016738-A1 LIPID NANOPARTICLES ETHERNA IMMUNOTHERAPIES NV (BE) 2024-01-18 US disclosed
US-20240016738-A1 LIPID NANOPARTICLES ETHERNA IMMUNOTHERAPIES NV (BE) 2024-01-18 US disclosed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US disclosed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
WO-2006042848-A9 GROWTH HORMONE CONJUGATES NOVO NORDISK AS (DK) 2007-05-18 WO disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 WO disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1194418-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-04-10 EP disclosed
WO-2000078735-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-28 WO disclosed
CN-1152263-A Zeolite SSZ-41 CHEVRON USA INC (US) 1997-06-18 CN 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 (3 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-20240016738-A1 LIPID NANOPARTICLES CETP, NPC1L1, PLTP NCF1 1056/4885GNAO1 3727/4885GNAI3 534/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 NCF1 1570/4885GNAO1 2623/4885GNAI3 2959/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK NCF1 1598/4885GNAO1 638/4885GNAI3 299/4885

“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.