SCHEMBL4516581

SCHEMBL4516581

Cc1cccc(C)c1C1CCN(Cc2c(C(=O)N(C)Cc3ccccc3)[nH]c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
HTR2A P28223 2/20 0.45
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
KCNH2 Q12809 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL4530902 0.85 KDM4E (0.52) KMT2AALDH1A1MEN1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL4513689 0.85 KDM4E (0.45) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL4523951 0.85 KDM4E (0.46) KMT2AALDH1A1MEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL4525276 0.85 KDM4E (0.51) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL4519807 0.83 MEN1 (0.51) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL4527564 0.83 ALDH1A1 (0.48) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL4525427 0.83 HTR2A (0.51) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL4518021 0.81 KDM4E (0.47) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL4525069 0.80 MCL1 (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL4519633 0.80 MEN1 (0.62) KMT2AALDH1A1MEN1MAPTKDM4E

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-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-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 KMT2A 3625/4885ALDH1A1 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.