SCHEMBL13612865

SCHEMBL13612865

CCC(C)(C)OCCN1CCN(C(=O)C2CCCO2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 5/20 0.45
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL12788391 0.89 TSHR (0.53) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL12846717 0.84 TSHR (0.53) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL13766176 0.82 TSHR (0.52) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL12156752 0.82 TSHR (0.59) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL12788557 0.81 TSHR (0.55) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL14195508 0.80 TSHR (0.54) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL13472632 0.80 TSHR (0.54) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL13612615 0.79 TSHR (0.56) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL13935662 0.79 TSHR (0.61) TSHRRECQLALDH1A1KDM4EHSD17B10
SCHEMBL12788448 0.78 TSHR (0.57) TSHRRECQLALDH1A1KDM4EHSD17B10

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 4 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-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-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-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

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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TSHR 3111/4885RECQL 1516/4885ALDH1A1 1472/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TSHR 3111/4885RECQL 1516/4885ALDH1A1 1472/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TSHR 3111/4885RECQL 1516/4885ALDH1A1 1472/4885

“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.