SCHEMBL5210360

SCHEMBL5210360

CN1CCC(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.56
MGLL Q99685 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PIP5K1C O60331 1/20 0.44
PIK3CA P42336 1/20 0.44
BRAF P15056 1/20 0.44
SCN9A Q15858 3/20 0.44
VNN1 O95497 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 3/20 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
SCHEMBL5208424 0.89 HTR1F (0.60) HTR1FL3MBTL1MEN1KMT2AROCK2
SCHEMBL5208521 0.88 HTR1F (0.63) HTR1FMGLLPIP5K1CPIK3CASCN9A
SCHEMBL5208398 0.87 HTR1F (0.60) HTR1FMGLLPIP5K1CPIK3CASCN9A
SCHEMBL5211793 0.87 HTR1F (0.58) HTR1FL3MBTL1MEN1KMT2AROCK2
SCHEMBL5210092 0.86 HTR1F (0.76) HTR1FL3MBTL1MEN1KMT2AROCK2
SCHEMBL5212894 0.86 HTR1F (0.75) HTR1FMGLLMEN1KMT2A
SCHEMBL5210028 0.86 HTR1F (0.58) HTR1FMGLLSCN9AMEN1KMT2A
SCHEMBL5210066 0.86 HTR1F (0.58) HTR1FMGLLPIP5K1CPIK3CASCN9A
SCHEMBL5214552 0.86 HTR1F (0.58) HTR1FMGLLPIP5K1CPIK3CASCN9A
SCHEMBL5210844 0.84 HTR1F (0.56) HTR1FMGLLMEN1KMT2A

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
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

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 1/4885MGLL 1283/4885L3MBTL1 4816/4885

“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.