SCHEMBL4528258

SCHEMBL4528258

CCOC(=O)c1[nH]c2ccccc2c1CN1CCC(c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.51
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 3/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4706303 0.94 KDM4E (0.52) HTR6DRD2DRD4DRD3HTR1A
SCHEMBL4706257 0.89 DRD2 (0.55) HTR6DRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL4525491 0.85 HTR2A (0.49) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL4520883 0.84 HRH4 (0.49) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL4529569 0.83 HTR2A (0.43) DRD2HTR1AKDM4EALDH1A1MAPT
SCHEMBL24588700 0.83 KDM4E (0.59) HTR6DRD2DRD4DRD3HTR1A
SCHEMBL29743963 0.83 KDM4E (0.59) HTR6DRD2DRD4DRD3HTR1A
SCHEMBL15905388 0.82 KDM4E (0.63) HTR6DRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL4522613 0.82 HTR2A (0.42) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL4515176 0.82 LMNA (0.46) DRD2KDM4EALDH1A1MAPTNPSR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 US claimed
EP-1648881-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GlaxoSmithKline S.p.A. (IT) 2006-04-26 EP claimed
WO-2005005411-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GLAXOSMITHKLINE S.P.A. (IT) 2005-01-20 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
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 US 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
EP-1648881-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GlaxoSmithKline S.p.A. (IT) 2006-04-26 EP disclosed
WO-2005005411-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GLAXOSMITHKLINE S.P.A. (IT) 2005-01-20 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 (2 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 HTR6 140/4885DRD2 148/4885DRD4 430/4885
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor OGFRL1, OPRL1, ORMDL3 HTR6 146/4885DRD2 99/4885DRD4 395/4885

“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.