SCHEMBL433971

SCHEMBL433971

NC1(Cc2ccccc2)CCCC1

nearest known ligand 0.96

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.83
MAOB P27338 7/20 0.83
KDM1A O60341 7/20 0.50
RCOR1 Q9UKL0 3/20 0.42
DPP4 P27487 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
Hydrochloric Acid SCHEMBL3967040 0.98 MAOA (0.79) MAOAMAOBKDM1ARCOR1
SCHEMBL8803044 0.98 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL2289825 0.98 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL20104709 0.98 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL20198582 0.98 MAOA (0.79) MAOAMAOBKDM1A
SCHEMBL5190756 0.95 MAOA (0.83) MAOAMAOBKDM1ARCOR1
Hydrochloric Acid SCHEMBL3712837 0.93 MAOA (0.79) MAOAMAOBKDM1ARCOR1
SCHEMBL1318340 0.91 MAOA (1.00) MAOAMAOBKDM1ARCOR1
Hydrochloric Acid SCHEMBL1318464 0.88 MAOA (0.95) MAOAMAOBKDM1ARCOR1
Hydrochloric Acid SCHEMBL28716487 0.86 MAOA (0.91) MAOAMAOBKDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3938340-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS Collaborative Medicinal Development, LLC (US) 2022-01-19 EP disclosed
WO-2020185738-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2020-09-17 WO disclosed
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
US-20140088102-A1 (ALPHA-SUBSTITUTED CYCLOALKYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. (US) 2014-03-27 US disclosed
EP-2691389-A1 (ALPHA-SUBSTITUTED CYCLOALKYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI Pharma, Inc. (US) 2014-02-05 EP disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
WO-2012135175-A1 (ALPHA-SUBSTITUTED CYCLOALKYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 WO disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 WO disclosed
US-20110318542-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition and Patterning Method Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
EP-1761509-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-14 EP disclosed
WO-2005111002-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
EP-1595873-A1 Substituted cycloalkyl derivatives for the treatment of respiratory diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-11-16 EP disclosed
EP-1556373-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2005-07-27 EP disclosed
WO-2005051901-A1 ANTI-CANCER AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2005-06-09 WO disclosed
WO-2004035566-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-04-29 WO disclosed
US-20040077650-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-04-22 US disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 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 (6 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-20040077650-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 MAOA 1885/4885MAOB 1529/4885KDM1A 3094/4885
US-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament CHRM1, CHRM2, CHRM3 MAOA 704/4885MAOB 852/4885KDM1A 2569/4885
US-20140088102-A1 (ALPHA-SUBSTITUTED CYCLOALKYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNA1, MKI67 MAOA 1509/4885MAOB 1172/4885KDM1A 1780/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 MAOA 704/4885MAOB 852/4885KDM1A 2569/4885
US-20110318542-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition and Patterning Method Using Same FRG1, AFF2, AFF1 MAOA 1334/4885MAOB 1009/4885KDM1A 1497/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L MAOA 178/4885MAOB 75/4885KDM1A 2398/4885

“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.