SCHEMBL6606601

SCHEMBL6606601

C[C@@H]1CN(c2cc3c(ccn3C(=O)Cc3cccc(C(F)(F)F)c3F)cc2F)C[C@H](C)N1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.55
HTR1B P28222 7/20 0.55
P2RX7 Q99572 4/20 0.37
WDR5 P61964 8/20 0.37
NOTUM Q6P988 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
SCHEMBL6606597 1.00 HTR1D (0.55) HTR1DHTR1BP2RX7WDR5NOTUM
SCHEMBL6606340 0.90 HTR1B (0.67) HTR1DHTR1BP2RX7
SCHEMBL6606338 0.90 HTR1B (0.67) HTR1DHTR1BP2RX7
SCHEMBL6604882 0.79 HTR1B (0.81) HTR1DHTR1BP2RX7WDR5
SCHEMBL6604879 0.79 HTR1B (0.81) HTR1DHTR1BP2RX7WDR5
SCHEMBL6605203 0.77 HTR1D (0.42) HTR1DHTR1BP2RX7
SCHEMBL6605206 0.77 HTR1D (0.42) HTR1DHTR1BP2RX7
SCHEMBL6603436 0.73 HTR1B (0.80) HTR1DHTR1BP2RX7
SCHEMBL6603438 0.73 HTR1B (0.80) HTR1DHTR1BP2RX7
SCHEMBL6604237 0.71 HTR1B (1.00) HTR1DHTR1B

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 5 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

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 1/4885P2RX7 130/4885

“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.