SCHEMBL5212876

SCHEMBL5212876

CN1CCC(C(=O)c2cccc(Nc3cc(F)c(F)cc3F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 13/20 0.62
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CCNT1 O60563 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
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
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIP5K1C O60331 1/20 0.42
PIK3CA P42336 1/20 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
SCHEMBL5212916 0.89 HTR1F (0.60) HTR1FKMT2AMEN1CCNT1CCNE1
SCHEMBL5210456 0.88 HTR1F (0.62) HTR1FKMT2AMEN1CHRM5DRD5
SCHEMBL5213054 0.88 HTR1F (0.65) HTR1FKMT2AMEN1CHRM5DRD5
SCHEMBL5209311 0.87 HTR1F (0.61) HTR1FKMT2AMEN1CCNT1CCNE1
SCHEMBL5209986 0.87 HTR1F (0.64) HTR1FKMT2AMEN1CCNT1CCNE1
SCHEMBL5209945 0.86 HTR1F (0.60) HTR1FKMT2AMEN1CHRM5DRD5
SCHEMBL27471757 0.86 HTR1F (0.62) HTR1FKMT2AMEN1CHRM5DRD5
SCHEMBL5209089 0.85 HTR1F (0.62) HTR1FKMT2AMEN1CCNT1CCNE1
SCHEMBL5210341 0.85 HTR1F (0.64) HTR1FKMT2AMEN1CCNT1CCNE1
SCHEMBL5208415 0.84 HTR1F (0.69) HTR1FKMT2AMEN1CYP2C9CYP2C19

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.