SCHEMBL13612734

SCHEMBL13612734

CCOC(=O)C1CCN(CCOC(C)(C)CC)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL12788366 0.89 KCNH2 (0.52) KCNH2LTA4HGAAPKMHTT
SCHEMBL15569388 0.82 MAPT (0.62) KCNH2LTA4HMAPTLMNAALDH1A1
SCHEMBL745002 0.81 KCNH2 (0.55) KCNH2LTA4HMAPTLMNAALDH1A1
SCHEMBL12847056 0.81 KCNH2 (0.55) KCNH2LTA4HMAPTLMNAALDH1A1
SCHEMBL1495915 0.80 LMNA (0.54) KCNH2LTA4HGAAPKMHTT
SCHEMBL4172495 0.79 MAPT (0.58) KCNH2LTA4HMAPTLMNAALDH1A1
SCHEMBL2061231 0.78 LMNA (0.55) KCNH2LTA4HGAAPKMHTT
SCHEMBL15956633 0.77 MAPT (0.57) KCNH2LTA4HMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL5071255 0.77 MAPT (0.57) KCNH2LTA4HMAPTLMNAALDH1A1
SCHEMBL17282166 0.77 MAPT (0.50) KCNH2LTA4HGAAPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KCNH2 837/4885LTA4H 1304/4885GAA 1584/4885

“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.