SCHEMBL4550633

SCHEMBL4550633

C#CC(=O)N1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 1/20 0.42
GPX4 P36969 1/20 0.42
HTR1A P08908 1/20 0.42
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GRM5 P41594 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL2844608 0.78 CYP1A2 (0.54) CYP1A2TDP1HTTHTR1ALMNA
SCHEMBL3378405 0.77
SCHEMBL23643796 0.76 GPX4 (0.50) GPX4MGLL
SCHEMBL8432009 0.75 ALDH1A1 (0.48) HTTGPX4POLB
SCHEMBL24438361 0.75 ALDH1A1 (0.48) HTTGPX4POLB
SCHEMBL9534756 0.74 GPX4 (0.45) GPX4
SCHEMBL19909698 0.74 CYP1A2 (0.50) CYP1A2TDP1HTTGPX4HTR1A
SCHEMBL3594330 0.73 CYP1A2 (0.48) CYP1A2TDP1HTTHTR1ALMNA
SCHEMBL26317462 0.73 ALDH1A1 (0.48) HTTGPX4LMNAPHGDHMGLL
SCHEMBL3149632 0.71 CHRNB2 (0.50) GPX4HSD11B1POLBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP claimed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP claimed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP claimed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP claimed
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP claimed
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
EP-2970163-B1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
EP-2297089-B1 BENZOCYCLOHEPTANE AND BENZOXEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-07-31 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 (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-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA CYP1A2 606/4885TDP1 2636/4885HTT 4104/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA CYP1A2 606/4885TDP1 2636/4885HTT 4104/4885

“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.