SCHEMBL4529562

SCHEMBL4529562

CCN(CCOC(=O)C(F)(F)F)C(=O)c1[nH]c2ccccc2c1CN1CCC(c2c(C)cccc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 4/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR7 P34969 5/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
HTR6 P50406 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4529560 0.88 KDM4E (0.40) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4523951 0.87 KDM4E (0.46) KDM4EALDH1A1MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL4513689 0.82 KDM4E (0.45) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4509605 0.80 TP53 (0.39) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4519547 0.78 KDM4E (0.37) KDM4EALDH1A1MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL4514891 0.78 KDM4E (0.45) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4520934 0.78 KDM4E (0.41) KDM4EALDH1A1MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL5305556 0.77 KDM4E (0.45) KDM4EALDH1A1MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL4523754 0.77 CNR1 (0.43) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4530902 0.77 KDM4E (0.52) KDM4EALDH1A1MEN1MAPTHTT

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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
EP-1676843-A1 Substituted indole ligands for the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2006-07-05 EP claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
EP-1676843-A1 Substituted indole ligands for the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2006-07-05 EP 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 KDM4E 4525/4885ALDH1A1 395/4885MEN1 2146/4885

“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.