SCHEMBL5207850

SCHEMBL5207850

CN1CCC(C(=O)c2cccc(Nc3cccc(Cl)c3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.60
NPSR1 Q6W5P4 1/20 0.57
MGLL Q99685 5/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
KDM2B Q8NHM5 2/20 0.49
HSD11B1 P28845 1/20 0.48
SCN9A Q15858 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
BRAF P15056 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL5210028 0.91 HTR1F (0.58) HTR1FNPSR1MGLLKMT2AMEN1
SCHEMBL5216477 0.90 HTR1F (0.64) HTR1FNPSR1MGLLKMT2AMEN1
SCHEMBL5208521 0.88 HTR1F (0.63) HTR1FNPSR1MGLLKMT2AMEN1
SCHEMBL5211098 0.88 HTR1F (0.61) HTR1FNPSR1MGLLKMT2AMEN1
SCHEMBL5212892 0.87 HTR1F (0.72) HTR1FNPSR1BRAFLMNA
SCHEMBL5215489 0.86 HTR1F (0.61) HTR1FNPSR1MGLLKMT2AMEN1
SCHEMBL5209986 0.85 HTR1F (0.64) HTR1FNPSR1MGLLKMT2AMEN1
SCHEMBL5208415 0.85 HTR1F (0.69) HTR1FMGLLKMT2AMEN1HSD11B1
SCHEMBL5217058 0.85 HTR1F (0.60) HTR1FNPSR1MGLLKMT2AMEN1
SCHEMBL5208398 0.85 HTR1F (0.60) HTR1FMGLLKMT2AMEN1SCN9A

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 1/4885NPSR1 40/4885MGLL 1283/4885

“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.