SCHEMBL13612630

SCHEMBL13612630

CCCN(CCOCC)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL172226 0.83 DRD2 (0.46) KDM4EHSD17B10DRD2DRD3HTR1A
SCHEMBL12156654 0.82 KDM4E (0.42) KDM4EHSD17B10DRD2DRD3HTR1A
SCHEMBL7598035 0.79 ALDH1A1 (0.39) HSD17B10ALDH1A1
SCHEMBL12788344 0.78 KDM4E (0.36) KDM4EHSD17B10DRD2DRD3HTR1A
Ammonia Solution, Strong SCHEMBL11361703 0.77 DRD2 (0.41) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL13472656 0.75 DRD2 (0.41) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL10035081 0.74 DRD2 (0.40) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL19144434 0.74 MEN1 (0.45) KDM4EDRD3HTR1BALDH1A1
SCHEMBL13662616 0.74 DRD2 (0.40) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL17704226 0.74 DRD2 (0.40) KDM4EHSD17B10DRD2DRD3HTR1A

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 6 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-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-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-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 (5 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 1022/4885HSD17B10 4530/4885DRD2 3064/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885HSD17B10 4530/4885DRD2 3064/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885HSD17B10 4530/4885DRD2 3064/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE KDM4E 1022/4885HSD17B10 4530/4885DRD2 3064/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE KDM4E 1022/4885HSD17B10 4530/4885DRD2 3064/4885

“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.