SCHEMBL959762

SCHEMBL959762

N#CC(c1ccccc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.58
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
IDO1 P14902 2/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPA1 O75762 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM4 P08173 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL13124077 1.00 SLC6A3 (0.58) SLC6A3CHRNB4CHRNA3IDO1MEN1
SCHEMBL961019 0.98 SLC6A3 (0.57) SLC6A3CHRNB4CHRNA3IDO1MEN1
SCHEMBL961750 0.94 SLC6A3 (0.53) SLC6A3CHRNB4CHRNA3IDO1MEN1
SCHEMBL7355279 0.90 CHRNB4 (0.53) SLC6A3CHRNB4CHRNA3IDO1TRPA1
SCHEMBL17892330 0.87 SLC6A3 (0.55) SLC6A3CHRNB4CHRNA3IDO1MEN1
SCHEMBL7236223 0.81 SLC6A3 (0.59) SLC6A3CHRNB4CHRNA3MEN1KMT2A
SCHEMBL8191324 0.81 CHRNB4 (0.46) SLC6A3CHRNB4CHRNA3
SCHEMBL493477 0.81 CHRNB4 (0.46) SLC6A3CHRNB4CHRNA3IDO1MEN1
SCHEMBL3071813 0.81 IDO1 (0.49) SLC6A3IDO1MEN1KMT2APKM
Hydrochloric Acid SCHEMBL2586181 0.80 CHRNB4 (0.45) SLC6A3CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US claimed
JP-4763788-B2 2011-08-31 JP claimed
US-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-05 US claimed
EP-1934167-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd. (IL) 2008-06-25 EP claimed
WO-2008013993-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO claimed
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 US claimed
US-20030087931-A1 Chemical derivatives and their application as antitelomerease agent AVENTIS PHARMA S.A. (FR) 2003-05-08 US claimed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
CN-109415306-A The preparation method of 2- cyclohexylidene -2- phenylacetonitrile and its odorous analogue 阿甘香气及精细化学有限公司 2019-03-01 CN disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-9982231-B2 Methods for reprogramming differentiated non-cardiac cells into cardiomyocytes THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-05-29 US disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed
EP-0258617-B1 3,3-DISUBSTITUTED-PIPERIDINE-2,6-DIONE DERIVATIVES MADAUS Aktiengesellschaft (DE) 1992-03-18 EP disclosed
US-4839370-A Novel derivatives of 3-aryl-3-cycloalkyl-piperidine-2,6-dione ASTA-PHARMA AG (DE) 1989-06-13 US disclosed
EP-0258617-A1 3,3-Disubstituted-piperidine-2,6-dione derivatives MADAUS Aktiengesellschaft (DE) 1988-03-09 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 (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-20030087931-A1 Chemical derivatives and their application as antitelomerease agent DNASE1L3, SERPINB1, BRDT SLC6A3 4536/4885CHRNB4 4067/4885CHRNA3 3936/4885
US-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine CYP2D6, MAOB, CYP2C9 SLC6A3 81/4885CHRNB4 531/4885CHRNA3 657/4885
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 SLC6A3 4524/4885CHRNB4 1014/4885CHRNA3 1160/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 SLC6A3 4230/4885CHRNB4 4288/4885CHRNA3 4532/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 SLC6A3 4103/4885CHRNB4 4224/4885CHRNA3 4503/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 SLC6A3 4230/4885CHRNB4 4288/4885CHRNA3 4532/4885

“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.