SCHEMBL5209002

SCHEMBL5209002

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccccn3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.52
KMT2A Q03164 2/20 0.42
PFKFB3 Q16875 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
TRIM24 O15164 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5213124 0.84 HTR1F (0.56) HTR1FKMT2APFKFB3HTR6TDP1
SCHEMBL5208596 0.83 HTR1F (0.53) HTR1FKMT2ANPSR1EGFRFGFR1
SCHEMBL5212374 0.81 HTR1F (0.56) HTR1FPIP5K1CPIK3CAGSK3BDYRK1A
SCHEMBL5212799 0.81 HTR1F (0.61) HTR1FKMT2ANPSR1
SCHEMBL5207977 0.81 HTR1F (0.53) HTR1FKMT2AHTR6NPSR1EGFR
SCHEMBL5215789 0.81 HTR1F (0.53) HTR1FKMT2AHTR2ANPSR1TDP1
SCHEMBL5210057 0.80 HTR1F (0.51) HTR1FKMT2AEGFRFGFR1KDR
SCHEMBL5210116 0.80 HTR1F (0.53) HTR1FKMT2AHTR6NPSR1EGFR
SCHEMBL5212898 0.80 MEN1 (0.46) HTR1FKMT2AHTR2AHTR2BHTR6
SCHEMBL5216545 0.80 HTR1F (0.58) HTR1FKMT2ATSHR

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
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP disclosed
US-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 US disclosed
CN-1149195-C 5-HTIF agonists 2004-05-12 CN disclosed
CN-1340045-A 5-HTIF agonists LILLY CO ELI (US) 2002-03-13 CN 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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E HTR1F 1/4885KMT2A 3859/4885PFKFB3 4107/4885

“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.