SCHEMBL7094099

SCHEMBL7094099

COc1ccc(C2CC2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 1.00
MAOB P27338 9/20 1.00
MAOA P21397 7/20 1.00
HTR2C P28335 2/20 0.59
KCNH2 Q12809 3/20 0.54
RCOR1 Q9UKL0 3/20 0.54
KDM1B Q8NB78 1/20 0.54
CYP2C19 P33261 4/20 0.52
CYP2B6 P20813 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2A6 P11509 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL6755876 1.00 KDM1A (1.00) KDM1AMAOBMAOAHTR2CKCNH2
SCHEMBL18596475 1.00 KDM1A (1.00) KDM1AMAOBMAOAHTR2CKCNH2
SCHEMBL5729043 1.00 KDM1A (1.00) KDM1AMAOBMAOAHTR2CKCNH2
Hydrochloric Acid SCHEMBL15091706 0.98 KDM1A (1.00) KDM1AMAOBMAOAHTR2CKCNH2
Hydrochloric Acid SCHEMBL15091705 0.98 KDM1A (1.00) KDM1AMAOBMAOAHTR2CKCNH2
SCHEMBL12971942 0.94 KDM1A (0.89) KDM1AMAOBMAOAHTR2CKCNH2
SCHEMBL11064726 0.84 KDM1A (0.72) KDM1AMAOBMAOAHTR2CSLC6A2
SCHEMBL11064728 0.84 KDM1A (0.72) KDM1AMAOBMAOAHTR2CSLC6A2
SCHEMBL4257203 0.80 KDM1A (0.67) KDM1AMAOBMAOAHTR2CSLC6A2
SCHEMBL4266649 0.80 KDM1A (0.67) KDM1AMAOBMAOAHTR2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779096-B Fluorine-substituted cyclopropylamine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-07-01 CN disclosed
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-17 US disclosed
US-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-04 US disclosed
EP-3431471-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USERS THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-01-23 EP disclosed
CN-108779096-A A kind of fluorine-substituted cyclopropylamine class compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2018-11-09 CN disclosed
CN-107200706-A Cyclopropylamine class compound of one class fluorine substitution and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2017-09-26 CN disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-8389580-B2 Arylcyclopropylamines and methods of use DUKE UNIVERSITY (US) 2013-03-05 US disclosed
US-8389580-B2 Arylcyclopropylamines and methods of use DUKE UNIVERSITY (US) 2013-03-05 US disclosed
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE DUKE UNIVERSITY 2010-12-23 US disclosed
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE DUKE UNIVERSITY 2010-12-23 US disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-1296938-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE Pfizer Limited (GB) 2003-04-02 EP disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 US disclosed
WO-2002002513-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE PFIZER LIMITED (GB) 2002-01-10 WO 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-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM1A 3423/4885MAOB 34/4885MAOA 39/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM1A 3423/4885MAOB 34/4885MAOA 39/4885
US-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SETDB1, KDM1B, SETD7 KDM1A 4/4885MAOB 323/4885MAOA 351/4885
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase ENGASE, ENPEP, CPN1 KDM1A 1587/4885MAOB 544/4885MAOA 383/4885
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE MAOA, MAOB, PNMT KDM1A 14/4885MAOB 2/4885MAOA 1/4885
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SETDB1, KDM1B, SETD7 KDM1A 4/4885MAOB 323/4885MAOA 351/4885

“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.