SCHEMBL5280958

SCHEMBL5280958

O=C(c1cccc2[nH]ccc12)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.79
HRH4 Q9H3N8 1/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 1/20 0.57
SIGMAR1 Q99720 2/20 0.51
MGLL Q99685 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
DRD4 P21917 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL5276367 0.90 MAPK14 (0.64) MAPK14HRH4HTTPOLBGAA
Hydrochloric Acid SCHEMBL28742945 0.89 MAPK14 (0.63) MAPK14HRH4HTTPOLBGAA
SCHEMBL6111875 0.87 MAPK14 (0.61) MAPK14POLBGAASIGMAR1HTR2A
SCHEMBL6096879 0.86 MAPK14 (0.62) MAPK14HRH4HTTPOLBGAA
SCHEMBL16598785 0.86 MAPK14 (0.78) MAPK14HRH4HTTPOLBGAA
SCHEMBL6094636 0.82 MAPK14 (0.60) MAPK14HRH4HTTPOLBGAA
SCHEMBL5280593 0.81 HRH4 (0.58) MAPK14HRH4POLBGAAMEN1
SCHEMBL5276417 0.81 MAPK14 (0.61) MAPK14HRH4HTTGAASIGMAR1
SCHEMBL3210544 0.80 MAPK14 (0.65) MAPK14HRH4GAAMGLLCCR5
SCHEMBL5277129 0.80 MAPK14 (0.60) MAPK14HRH4HTTGAAKCNH2

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 16 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
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
CN-1688309-A Use of 5-HT2 receptor antagonists for the treatment of sleep disorders MERCK PATENT GMBH (DE) 2005-10-26 CN 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
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 (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 4344/4885HRH4 334/4885HTT 133/4885
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives HTR2A, HTR2B, HTR2C MAPK14 4409/4885HRH4 235/4885HTT 37/4885

“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.