SCHEMBL4520760

SCHEMBL4520760

Clc1cccc(Cl)c1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1A P08908 6/20 0.45
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A3 Q01959 6/20 0.45
HTR2C P28335 10/20 0.44
HTR3A P46098 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
Hydrochloric Acid SCHEMBL5417427 0.98 SLC18A3 (0.47) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL4706866 0.87 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23215227 0.87 QDPR (0.43) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL29768397 0.87 QDPR (0.43) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5425882 0.85 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10387633 0.84 OPRL1 (0.49)
SCHEMBL12290554 0.79 SMN1; SMN2 (0.48) HTR1AHTR2CHTR3AHTR2A
SCHEMBL245508 0.78 SLC6A2 (0.57) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL10693537 0.77 SMN1; SMN2 (0.47)
SCHEMBL24770740 0.77 HTR2C (0.46) HTR1ASLC6A2SLC6A3HTR2CHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102285968-A Preparation method of 3- [4- (2, 6-dichlorophenyl) -piperidine-1-methylene ] -2, 5-disubstituted indole 2011-12-21 CN disclosed
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
US-7223867-B2 Preparation of benzosuberonylpiperidine compounds GLAXOSMITHKLINE S.P.A. (IT) 2007-05-29 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
US-20050059700-A1 Preparation of benzosuberonylpiperidine compounds GLAXOSMITHLINE S.P.A. (IT) 2005-03-17 US disclosed
WO-2005005411-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GLAXOSMITHKLINE S.P.A. (IT) 2005-01-20 WO disclosed
EP-1442017-A1 PREPARATION OF BENZOSUBERONYLPIPERIDINE COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003040099-A1 PREPARATION OF BENZOSUBERONYLPIPERIDINE COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2003-05-15 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 (3 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-20050059700-A1 Preparation of benzosuberonylpiperidine compounds CYP2S1, COX6C, CYC1 SLC18A3 4032/4885SIGMAR1 219/4885HTR1A 63/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 SLC18A3 353/4885SIGMAR1 20/4885HTR1A 14/4885
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor OGFRL1, OPRL1, ORMDL3 SLC18A3 504/4885SIGMAR1 15/4885HTR1A 27/4885

“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.