SCHEMBL4524181

SCHEMBL4524181

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
OPRM1 P35372 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
SCHEMBL4519160 0.91 DRD2 (0.43) MCL1DRD2DRD3TLR9TLR8
SCHEMBL4520261 0.91 DRD2 (0.43) MCL1DRD2DRD3MEN1KMT2A
SCHEMBL4513266 0.89 DRD2 (0.44) MCL1DRD2DRD3MEN1KMT2A
SCHEMBL4529531 0.88 KDM4E (0.45) MCL1DRD2DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL4509952 0.88 DRD2 (0.47) MCL1DRD2DRD3TLR9TLR8
Hydrochloric Acid SCHEMBL4518493 0.87 KDM4E (0.43) MCL1DRD2DRD3TLR9TLR8
Hydrochloric Acid SCHEMBL4515014 0.87 MCL1 (0.41) MCL1DRD2DRD3TLR9TLR8
Hydrochloric Acid SCHEMBL4520643 0.87 MCL1 (0.41) MCL1DRD2DRD3MEN1KMT2A
SCHEMBL4528397 0.86 DRD2 (0.51) MCL1DRD2DRD3TLR9TLR8
SCHEMBL4525427 0.86 HTR2A (0.51) MCL1MEN1KMT2AKDM4EALDH1A1

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-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
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

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 MCL1 1303/4885DRD2 148/4885DRD3 213/4885

“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.