SCHEMBL5212844

SCHEMBL5212844

CN1CCC(C(=O)c2cccc(NC(=O)Nc3ccc(Br)cc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.62
EPHX2 P34913 1/20 0.50
KMT2A Q03164 3/20 0.49
FPR2 P25090 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CNR1 P21554 1/20 0.44

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
SCHEMBL5211999 0.91 HTR1F (0.60) HTR1FKMT2AMEN1ALDH1A1HTT
SCHEMBL5215939 0.90 HTR1F (0.67) HTR1FEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5214297 0.89 HTR1F (0.64) HTR1FEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5212335 0.88 HTR1F (0.62) HTR1FEPHX2KMT2AMEN1NPC1
SCHEMBL5213347 0.88 HTR1F (0.79) HTR1FEPHX2KMT2AMEN1
SCHEMBL5215906 0.88 HTR1F (0.62) HTR1FEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5213270 0.88 HTR1F (0.79) HTR1FKMT2AMEN1TP53NPC1
SCHEMBL5210066 0.88 HTR1F (0.58) HTR1FKMT2AMEN1
SCHEMBL5210595 0.86 HTR1F (0.60) HTR1FKMT2AMEN1ALDH1A1TP53
SCHEMBL5208424 0.86 HTR1F (0.60) HTR1FEPHX2KMT2AMEN1ALDH1A1

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 1/4885EPHX2 848/4885KMT2A 3859/4885

“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.