SCHEMBL5274694

SCHEMBL5274694

NC(=O)c1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.73
HTR2C P28335 3/20 0.73
DRD4 P21917 1/20 0.73
SLC6A2 P23975 1/20 0.73
HTR1D P28221 1/20 0.73
SLC6A4 P31645 1/20 0.73
HTR7 P34969 1/20 0.73
HTR2B P41595 1/20 0.73
TMEM97 Q5BJF2 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
KCNH2 Q12809 2/20 0.56
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PRKAA2 P54646 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6110885 0.91 HTR2A (0.74) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL6110794 0.88 HTR2A (0.70) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL6109872 0.87 HTR2A (0.69) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL5276777 0.85 HTR2A (0.72) HTR2AHTR2CDRD4SLC6A2HTR1D
Pruvanserin SCHEMBL29379046 0.84 HTR2A (1.00) HTR2AHTR2CDRD4SLC6A2HTR1D
Pruvanserin SCHEMBL678751 0.84 HTR2A (1.00) HTR2AHTR2CDRD4SLC6A2HTR1D
Pruvanserin SCHEMBL9104227 0.84 HTR2A (1.00) HTR2AHTR2CDRD4SLC6A2HTR1D
Hydrochloric Acid SCHEMBL27498823 0.84 HTR2A (0.70) HTR2AHTR2CDRD4SLC6A2HTR1D
Pruvanserin SCHEMBL678953 0.83 HTR2A (0.98) HTR2AHTR2CDRD4SLC6A2HTR1D
Pruvanserin SCHEMBL29489913 0.83 HTR2A (0.98) HTR2AHTR2CDRD4SLC6A2HTR1D

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-1448201-B1 N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES FOR THE TREATMENT OF OBESITY MERCK PATENT GMBH (DE) 2007-11-28 EP claimed
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
US-20060040951-A1 Use of 5-ht2 receptor antagonists for the treatment of sleep disorders MERCK PATENT GMBH (DE) 2006-02-23 US claimed
EP-1545531-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GmbH (DE) 2005-06-29 EP claimed
US-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-20 US claimed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US claimed
EP-1198453-B9 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-10 EP claimed
WO-2004032932-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GMBH (DE) 2004-04-22 WO claimed
EP-1198453-B1 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-09 EP 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
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
EP-1198453-B9 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-10 EP 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 HTR2A 11/4885HTR2C 5/4885DRD4 46/4885
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives HTR2A, HTR2B, HTR2C HTR2A 1/4885HTR2C 3/4885DRD4 122/4885

“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.