SCHEMBL13239678

SCHEMBL13239678

CCOC(=O)C1CCCN(CC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 10/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR7 P34969 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
SCHEMBL13766175 0.89 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL12788533 0.86 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL13659659 0.85 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL13804381 0.84 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL8438204 0.84 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL14874211 0.84 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
Hydrochloric Acid SCHEMBL28558936 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL4513801 0.82 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL4517151 0.82 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL21042296 0.81 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759356-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-20 US disclosed
US-7754730-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-07-13 US disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS JANSSEN PHARMACEUTICA NV (BE) 2009-02-26 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-7468373-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-23 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-7345052-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-03-18 US disclosed
US-20070155760-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS JANSSEN PHARMACEUTICA NV (BE) 2007-07-05 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (8 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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885ALDH1A1 1472/4885SMN1; SMN2 4559/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885ALDH1A1 1472/4885SMN1; SMN2 4559/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885ALDH1A1 1472/4885SMN1; SMN2 4559/4885
US-20070155760-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ADORA2A, ADORA1, ADORA3 KDM4E 2705/4885ALDH1A1 192/4885SMN1; SMN2 3498/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE KDM4E 1022/4885ALDH1A1 1472/4885SMN1; SMN2 4559/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885ALDH1A1 1472/4885SMN1; SMN2 4559/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885ALDH1A1 1472/4885SMN1; SMN2 4559/4885
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ADORA2A, ADORA1, ADORA3 KDM4E 2705/4885ALDH1A1 192/4885SMN1; SMN2 3498/4885

“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.