SCHEMBL948663

SCHEMBL948663

c1ccc2c(CN3CCNCC3)c[nH]c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.81
BCHE P06276 1/20 0.81
LMNA P02545 6/20 0.74
HTT P42858 4/20 0.74
KDM4E B2RXH2 2/20 0.74
MAPK1 P28482 1/20 0.74
RAB9A P51151 2/20 0.72
JAK2 O60674 1/20 0.72
HTR6 P50406 1/20 0.70
DRD2 P14416 7/20 0.67
DRD4 P21917 7/20 0.67
DRD3 P35462 7/20 0.67
TSHR P16473 2/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 1/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 1/20 0.59
SLC6A4 P31645 2/20 0.56

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
SCHEMBL947433 0.94 LMNA (0.76) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL10463380 0.87 LMNA (0.97) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL1849016 0.87 LMNA (0.90) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL8789790 0.85 LMNA (1.00) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL762564 0.84 HTR2A (0.78) CYP2D6BCHELMNAHTTRAB9A
SCHEMBL1856027 0.83 BCHE (0.79) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL948662 0.83 HTR6 (1.00) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL11838124 0.83 BCHE (0.84) CYP2D6BCHELMNAHTTKDM4E
SCHEMBL1377300 0.82 HTR1A (0.83) DRD2DRD3SLC6A4HTR1AHTR2A
Hydrochloric Acid SCHEMBL28260331 0.81 HTR6 (0.97) CYP2D6BCHELMNAHTTKDM4E

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106794170-A The active metabolite and two methanesulfonic acid dihydrate salts of active metabolite of [(piperazinyl of 4 methyl 1) methyl] the 1H indoles dimethanesulfonate monohydrates of 1 [(2 bromophenyl) sulfonyl] 5 methoxyl group 3 苏文生命科学有限公司 2017-05-31 CN disclosed
US-9206186-B2 2-phenoxy- and 2-phenylsulfonamide derivatives with CCR3 antagonistic activity for the treatment of inflammatory or immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20140005176-A1 2-Phenoxy- and 2-Phenylsulfonamide Derivatives with CCR3 Antagonistic Activity for the Treatment of Inflammatory or Immunological Disorders AXIKIN PHARMACEUTICALS, INC. (US) 2014-01-02 US disclosed
CN-101544592-B Process for preparation of N-arylsulfonyl-3-substituted indoles SUVEN LIFE SCIENCES LTD 2013-08-21 CN disclosed
EP-1997495-B1 2-phenoxy- and 2-phenylsulfanyl-benzenesulfonamide derivatives with CCR3 antagonistic activity for the treatment of asthma and other inflammatory or immunological disorders AXIKIN PHARMACEUTICALS INC (US) 2013-01-02 EP disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 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
CN-1720225-A N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD (IN) 2006-01-11 CN disclosed
EP-1608374-A1 2-PHENOXY- AND 2-PHENYLSULFOMAMIDE DERIVATIVES WITH CCR3 ANTAGONISTIC ACTIVITY FOR THE TREATMENT OF ASTHMA AND OTHER INFLAMMATORY OR IMMUNOLOGICAL DISORDERS Actimis Pharmaceuticals, Inc. (US) 2005-12-28 EP disclosed
EP-1581492-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Suven Life Sciences Limited (IN) 2005-10-05 EP disclosed
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2005-06-30 US disclosed
WO-2005005411-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GLAXOSMITHKLINE S.P.A. (IT) 2005-01-20 WO disclosed
WO-2004084898-A1 2-PHENOXY- AND 2-PHENYLSULFOMAMIDE DERIVATIVES WITH CCR3 ANTAGONISTIC ACTIVITY FOR THE TREATMENT OF ASTHMA AND OTHER INFLAMMATORY OR IMMUNOLOGICAL DISORDERS ACTIMIS PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed
WO-2004048330-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 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 (4 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-20140005176-A1 2-Phenoxy- and 2-Phenylsulfonamide Derivatives with CCR3 Antagonistic Activity for the Treatment of Inflammatory or Immunological Disorders CCR3, CCR2, CCR1 CYP2D6 1499/4885BCHE 327/4885LMNA 4432/4885
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 CYP2D6 1723/4885BCHE 3857/4885LMNA 655/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CYP2D6 1267/4885BCHE 1463/4885LMNA 922/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 CYP2D6 3612/4885BCHE 3144/4885LMNA 2569/4885

“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.