SCHEMBL5276367

SCHEMBL5276367

O=C(c1cccc2[nH]ccc12)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.64
HTR2A P28223 3/20 0.61
HTR2C P28335 2/20 0.61
SLC6A4 P31645 2/20 0.61
DRD4 P21917 1/20 0.61
SLC6A2 P23975 1/20 0.61
HTR1D P28221 1/20 0.61
HTR7 P34969 1/20 0.61
HTR2B P41595 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ACHE P22303 3/20 0.48
HRH4 Q9H3N8 1/20 0.47
HTT P42858 1/20 0.47
CCR3 P51677 1/20 0.46

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 SCHEMBL28742945 0.99 MAPK14 (0.63) MAPK14HTR2AHTR2CSLC6A4DRD4
SCHEMBL5280958 0.90 MAPK14 (0.79) MAPK14HTR2AHTR2CSLC6A4DRD4
SCHEMBL6111875 0.86 MAPK14 (0.61) MAPK14HTR2ASIGMAR1POLBGAA
SCHEMBL6332677 0.86 HTT (0.65) MAPK14HTR2AHTR2CSLC6A4DRD4
SCHEMBL6096879 0.83 MAPK14 (0.62) MAPK14HTR2AHTR2CSLC6A4DRD4
SCHEMBL5278050 0.83 HTR2A (0.63) HTR2AHTR2CSLC6A4DRD4SLC6A2
Hydrochloric Acid SCHEMBL27499109 0.82 HTR2A (0.62) HTR2AHTR2CSLC6A4DRD4SLC6A2
Fluorobenzene SCHEMBL27552109 0.81 MAPK14 (0.69) MAPK14ACHEHRH4HTT
SCHEMBL6094636 0.80 MAPK14 (0.60) MAPK14HTR2AHTR2CSLC6A4DRD4
SCHEMBL6773674 0.79 HTR2A (0.56) MAPK14HTR2AHTR2CSLC6A4DRD4

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
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US claimed
EP-1448201-B1 N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES FOR THE TREATMENT OF OBESITY MERCK PATENT GMBH (DE) 2007-11-28 EP disclosed
CN-1319532-C Use of N- (indolylcarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2007-06-06 CN 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-20050096330-A1 N-(indolecarbonyl) piperazine derivatives BOETTCHER HENNING (DE) 2005-05-05 US disclosed
CN-1589147-A Use of N-(indolecarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-03-02 CN 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
EP-1198453-A2 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-24 EP disclosed
WO-2001007435-A2 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES ALS 5-HT2A-RECEPTOR LIGANDS MERCK PATENT GMBH (DE) 2001-02-01 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-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives GPR119, CHRM1, HTR1A MAPK14 4344/4885HTR2A 11/4885HTR2C 5/4885
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives HTR2A, HTR2B, HTR2C MAPK14 4409/4885HTR2A 1/4885HTR2C 3/4885

“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.