SCHEMBL949387

SCHEMBL949387

COc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.79
DRD4 P21917 4/20 0.79
DRD3 P35462 4/20 0.79
LMNA P02545 4/20 0.72
HTT P42858 3/20 0.72
GAA P10253 1/20 0.72
HTR6 P50406 2/20 0.71
HTR7 P34969 2/20 0.71
HTR1A P08908 1/20 0.71
HTR2A P28223 1/20 0.71
KDM4E B2RXH2 5/20 0.66
MAPT P10636 1/20 0.66
ALOX15 P16050 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HSD17B10 Q99714 1/20 0.66
BCHE P06276 1/20 0.66
CYP2D6 P10635 1/20 0.66
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.65
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL4772684 0.89 KDM4E (0.69) DRD2DRD4DRD3LMNAHTT
SCHEMBL1787164 0.88 DRD4 (1.00) DRD2DRD4DRD3LMNAHTT
SCHEMBL4775148 0.88 DRD2 (0.62) DRD2DRD4DRD3LMNAHTT
SCHEMBL11820831 0.86 HTR1A (0.79) DRD2LMNAHTR6HTR7HTR1A
SCHEMBL9367741 0.85 HTR1A (0.74) DRD2LMNAHTR6HTR7HTR1A
SCHEMBL5198952 0.84 DRD2 (0.63) DRD2DRD4DRD3LMNAHTT
SCHEMBL5198681 0.83 HTR7 (1.00) DRD2DRD4DRD3LMNAHTT
SCHEMBL17482339 0.82 BCHE (0.69) DRD2DRD4DRD3LMNAHTT
SCHEMBL5198132 0.81 LMNA (0.72) DRD2DRD4DRD3LMNAHTT
SCHEMBL6589437 0.80 HTR1A (0.71) DRD2LMNAHTR6HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496692-A1 2-Methoxyphenylpiperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1992-07-29 EP claimed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9334256-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2016-05-10 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
CN-101544592-B Process for preparation of N-arylsulfonyl-3-substituted indoles SUVEN LIFE SCIENCES LTD 2013-08-21 CN disclosed
WO-2012174488-A2 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2012-12-20 WO disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
CN-1720225-B N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD 2011-05-18 CN disclosed
US-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
CN-101544592-A N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LTD (IN) 2009-09-30 CN disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 US 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
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US 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-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 DRD2 4688/4885DRD4 4771/4885DRD3 4731/4885
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C DRD2 89/4885DRD4 161/4885DRD3 68/4885
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 DRD2 4688/4885DRD4 4771/4885DRD3 4731/4885
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases TRPM7, TRPM8, TRPM5 DRD2 4587/4885DRD4 4703/4885DRD3 4521/4885

“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.