SCHEMBL5212374

SCHEMBL5212374

CN1CCC(C(=O)c2cccc(Nc3ccccn3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.56
PIP5K1C O60331 1/20 0.51
PIK3CA P42336 1/20 0.51
GSK3B P49841 1/20 0.48
DYRK1A Q13627 1/20 0.48
SCN9A Q15858 2/20 0.48
MAPK8 P45983 2/20 0.47
MAPK10 P53779 2/20 0.47
CHRM5 P08912 1/20 0.43
DRD5 P21918 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
OPRK1 P41145 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL5210236 0.88 HTR1F (0.59) HTR1FPIP5K1CPIK3CAGSK3BDYRK1A
SCHEMBL5214002 0.86 HTR1F (0.57) HTR1FPIP5K1CPIK3CAGSK3BDYRK1A
SCHEMBL5208521 0.85 HTR1F (0.63) HTR1FPIP5K1CPIK3CASCN9AMGLL
SCHEMBL5207927 0.83 HTR1F (0.58) HTR1FPIP5K1CPIK3CASCN9AMAPK8
Hydrochloric Acid SCHEMBL5212790 0.82 HTR1F (0.57) HTR1FPIP5K1CPIK3CASCN9AMAPK8
SCHEMBL5209002 0.81 HTR1F (0.52) HTR1FPIP5K1CPIK3CAGSK3BDYRK1A
SCHEMBL5211052 0.81 HTR1F (0.56) HTR1FPIP5K1CPIK3CAGSK3BDYRK1A
SCHEMBL5215489 0.81 HTR1F (0.61) HTR1FMGLL
SCHEMBL5212182 0.80 HTR1F (0.57) HTR1FPIP5K1CPIK3CASCN9AMGLL
SCHEMBL5211854 0.80 HTR1F (0.57) HTR1FPIP5K1CPIK3CASCN9AMGLL

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
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP disclosed
EP-1841427-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID Pozen, Inc. (US) 2007-10-10 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
WO-2006081127-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID POZEN INC. (US) 2006-08-03 WO 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
EP-1153013-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000047559-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-17 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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E HTR1F 1/4885PIP5K1C 2787/4885PIK3CA 3620/4885

“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.