SCHEMBL5277129

SCHEMBL5277129

O=C(c1cccc2[nH]ccc12)N1CCN(CCc2cc(Cl)sc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.60
CCR3 P51677 1/20 0.46
MGLL Q99685 2/20 0.46
HTT P42858 1/20 0.43
ACHE P22303 6/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
THRB P10828 1/20 0.40
SLC6A4 P31645 1/20 0.40
GOT1 P17174 1/20 0.40

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
SCHEMBL5276417 0.85 MAPK14 (0.61) MAPK14CCR3MGLLHTTACHE
SCHEMBL6098564 0.84 HTR2A (0.43) MAPK14HTR2AHTR2CKCNH2DRD2
SCHEMBL6096552 0.82 GAA (0.57) MAPK14CCR3MGLLGAAMAPT
Hydrochloric Acid SCHEMBL27554175 0.81 GAA (0.56) MAPK14CCR3MGLLGAAMAPT
SCHEMBL5280958 0.80 MAPK14 (0.79) MAPK14MGLLHTTACHEGAA
SCHEMBL5274240 0.80 MAPK14 (0.59) MAPK14MAPTDRD2DRD3THRB
SCHEMBL6094722 0.79 MAPK14 (0.60) MAPK14CCR3MGLLDRD2DRD3
SCHEMBL6094636 0.78 MAPK14 (0.60) MAPK14CCR3MGLLHTTACHE
SCHEMBL6093813 0.78 HTR2A (0.43) GAAMAPTHTR2AHTR2CKCNH2
SCHEMBL6096879 0.78 MAPK14 (0.62) MAPK14CCR3MGLLHTTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
EP-1448201-B1 N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES FOR THE TREATMENT OF OBESITY MERCK PATENT GMBH (DE) 2007-11-28 EP disclosed
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US disclosed
WO-2006034788-A1 COMBINATIONS OF N-(INDOLECARBONYL-)PIPERAZINE DERIVATIVES AND SEROTONIN REUPTAKE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
US-20060040951-A1 Use of 5-ht2 receptor antagonists for the treatment of sleep disorders MERCK PATENT GMBH (DE) 2006-02-23 US disclosed
EP-1545531-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GmbH (DE) 2005-06-29 EP disclosed
US-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US disclosed
EP-1198453-B9 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-10 EP disclosed
EP-1448201-A2 USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2004-08-25 EP disclosed
WO-2004032932-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GMBH (DE) 2004-04-22 WO disclosed
WO-2003045392-A2 USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-06-05 WO disclosed
EP-1198453-B1 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-09 EP 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-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives GPR119, CHRM1, HTR1A MAPK14 4344/4885CCR3 3695/4885MGLL 1250/4885

“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.