SCHEMBL719547

SCHEMBL719547

Cc1nnn(-c2ccc(O)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.38
RAB9A P51151 8/20 0.38
KDM4E B2RXH2 4/20 0.38
PKM P14618 2/20 0.38
RECQL P46063 1/20 0.37
MAPT P10636 6/20 0.37
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ACHE P22303 1/20 0.36
MIF P14174 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL13183599 0.83 NPC1 (0.51) NPC1RAB9AKDM4EPKMRECQL
SCHEMBL18755000 0.80 NPC1 (0.54) NPC1RAB9AKDM4EPKMRECQL
SCHEMBL8212269 0.80 KDM4E (0.49) NPC1RAB9AKDM4EPKMRECQL
SCHEMBL720834 0.80 NPC1 (0.43) NPC1RAB9AKDM4EPKMRECQL
SCHEMBL54820 0.79 ABCG2 (0.50) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL24775079 0.78 TSHR (0.49) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL15597058 0.78 NPC1 (0.39) NPC1RAB9AKDM4EPKMRECQL
SCHEMBL8212317 0.77 NPC1 (0.51) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL5193636 0.77 HTT (0.53) NPC1RAB9AKDM4EMAPTNFKB1
SCHEMBL24723976 0.77 NPC1 (0.47) NPC1RAB9AKDM4EPKMRECQL

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914234-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-06-23 CN disclosed
CN-110914234-A Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2020-03-24 CN disclosed
WO-2019024924-A1 AMINE COMPOUND FOR INHIBITING SSAO/VAP-1 AND USE THEREOF IN MEDICINE 广东东阳光药业有限公司 2019-02-07 WO disclosed
EP-2297129-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
EP-2297129-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2011-03-23 EP disclosed
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
WO-2009129036-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-10-22 WO disclosed
WO-2009129036-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-10-22 WO disclosed
WO-2008021733-A2 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 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 (2 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-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GPR139 NPC1 531/4885RAB9A 1180/4885KDM4E 3652/4885
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR NPC1 684/4885RAB9A 1410/4885KDM4E 2180/4885

“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.