SCHEMBL13658802

SCHEMBL13658802

CC(=O)N1CCC(N(C(=O)C(C)(C)C)C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 5/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR119 Q8TDV5 4/20 0.36

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
SCHEMBL12788614 0.86 LMNA (0.36) LMNAGPR119
SCHEMBL16981771 0.82 HSD11B1 (0.33) LMNA
SCHEMBL12156462 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1EPHX2HTTMAPT
SCHEMBL19652096 0.77 HRH3 (0.41) ALDH1A1HTTLMNAGPR119
SCHEMBL19702056 0.75 ALDH1A1 (0.41) ALDH1A1L3MBTL1EPHX2HTTMAPT
SCHEMBL19710887 0.75 ALDH1A1 (0.44) ALDH1A1L3MBTL1EPHX2HTTMAPT
SCHEMBL13662566 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1EPHX2HTTMAPT
SCHEMBL19710577 0.75 KDM4E (0.45) ALDH1A1L3MBTL1EPHX2EPHX1CYP1A2
SCHEMBL13488461 0.74 EPHX2 (0.42) ALDH1A1EPHX2EPHX1CYP1A2TDP1
SCHEMBL17062871 0.73 EPHX2 (0.41) ALDH1A1EPHX2HTTEPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
WO-2009026204-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 WO 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-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 (3 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-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885L3MBTL1 4630/4885EPHX2 2063/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885L3MBTL1 4630/4885EPHX2 2063/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885L3MBTL1 4630/4885EPHX2 2063/4885

“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.