SCHEMBL4510893

SCHEMBL4510893

CC(=O)N(C)C1CCN(C(=O)c2[nH]c3ccccc3c2CN2CCC(c3c(C)cccc3C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 4/20 0.39
PDK2 Q15119 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 2/20 0.36
TNKS O95271 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 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
SCHEMBL4707694 0.91 PDK2 (0.40) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4707732 0.87 KDM4E (0.39) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4513506 0.86 KDM4E (0.43) KDM4EALDH1A1MEN1MAPTHTT
Hydrochloric Acid SCHEMBL4515330 0.85 KDM4E (0.43) KDM4EALDH1A1MEN1MAPTHTT
Hydrochloric Acid SCHEMBL4515336 0.85 KDM4E (0.43) KDM4EALDH1A1MEN1MAPTHTT
Hydrochloric Acid SCHEMBL4520376 0.85 KDM4E (0.43) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4505463 0.84 MAPT (0.45) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4531386 0.84 KDM4E (0.47) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4505975 0.84 KDM4E (0.45) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4528287 0.84 KDM4E (0.46) 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 2 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
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 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-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.