SCHEMBL5211786

SCHEMBL5211786

CN1CCC(C(=O)c2cccc(NC(=O)Nc3cccc(F)c3)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.73
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CCNA1 P78396 1/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MGLL Q99685 1/20 0.51
EPHX2 P34913 1/20 0.49
HSD11B1 P28845 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL5215404 0.94 HTR1F (0.72) HTR1FKMT2AMEN1CCNA2CDK2
SCHEMBL5213347 0.92 HTR1F (0.79) HTR1FKMT2AMEN1CYP2C9CYP2C19
SCHEMBL5209968 0.91 HTR1F (0.71) HTR1FKMT2AMEN1CYP2C9CYP2C19
SCHEMBL5208415 0.90 HTR1F (0.69) HTR1FKMT2AMEN1CYP2C9CYP2C19
SCHEMBL5213369 0.89 HTR1F (0.83) HTR1FKMT2AMEN1CYP2C9CYP2C19
SCHEMBL5215939 0.89 HTR1F (0.67) HTR1FKMT2AMEN1ALDH1A1EPHX2
SCHEMBL5212023 0.88 HTR1F (0.67) HTR1FKMT2AMEN1EPHX2NPC1
SCHEMBL5210817 0.87 HTR1F (0.65) HTR1FKMT2ANPC1RAB9A
SCHEMBL5214917 0.86 HTR1F (0.67) HTR1FKMT2AMEN1EPHX2
SCHEMBL5210434 0.86 HTR1F (0.65) HTR1FKMT2AMEN1NPC1RAB9A

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 1/4885KMT2A 3859/4885MEN1 749/4885

“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.