SCHEMBL6604346

SCHEMBL6604346

COc1cc2ccn(C(=O)Cc3cccc(Cl)c3F)c2cc1N1CC(C)NC(C)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.54
HTR1B P28222 5/20 0.54
GHSR Q92847 10/20 0.44
LCK P06239 1/20 0.40
WEE1 P30291 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL6604349 1.00 HTR1D (0.54) HTR1DHTR1BGHSRLCKWEE1
SCHEMBL6603712 0.92 GHSR (0.46) HTR1DHTR1BGHSRLCKWEE1
SCHEMBL6603709 0.92 GHSR (0.46) HTR1DHTR1BGHSRLCKWEE1
SCHEMBL6604750 0.80 HTR1B (0.81) HTR1DHTR1BGHSRHTR1A
SCHEMBL6604757 0.80 HTR1B (0.81) HTR1DHTR1BGHSRHTR1A
SCHEMBL6606340 0.79 HTR1B (0.67) HTR1DHTR1BGHSRHTR1A
SCHEMBL6606338 0.79 HTR1B (0.67) HTR1DHTR1BGHSRHTR1A
SCHEMBL6605304 0.72 HTR1B (0.69) HTR1DHTR1BGHSRHTR1A
SCHEMBL6605279 0.72 HTR1B (0.69) HTR1DHTR1BGHSRHTR1A
SCHEMBL6603215 0.70 HTR1B (1.00) HTR1DHTR1BGHSRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US claimed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP claimed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 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 (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-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A HTR1D 8/4885HTR1B 1/4885GHSR 245/4885

“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.