SCHEMBL4529531

SCHEMBL4529531

Cc1cccc(C)c1C1CCN(Cc2c(C(=O)N3CCN(C)CC3)[nH]c3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 4/20 0.44
HRH4 Q9H3N8 6/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
GAA P10253 1/20 0.41
HTR2A P28223 2/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4531386 0.92 KDM4E (0.47) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4528287 0.92 KDM4E (0.46) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4510224 0.92 KDM4E (0.46) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4513266 0.92 DRD2 (0.44) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4530667 0.91 KDM4E (0.46) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4519514 0.91 KDM4E (0.46) KDM4EALDH1A1MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL4527558 0.91 HRH4 (0.42) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4525427 0.91 HTR2A (0.51) KDM4EALDH1A1MEN1MAPTHTT
Hydrochloric Acid SCHEMBL4519164 0.90 KDM4E (0.45) KDM4EALDH1A1MEN1MAPTHTT
SCHEMBL4505975 0.90 KDM4E (0.45) 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 8 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-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP claimed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO 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-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP disclosed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO 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.