SCHEMBL5211702

SCHEMBL5211702

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 9/20 0.58
BRD4 O60885 1/20 0.48
CHRM5 P08912 1/20 0.46
DRD5 P21918 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
OPRK1 P41145 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5212370 0.91 HTR1F (0.56) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5210237 0.90 HTR1F (0.57) HTR1FMEN1KMT2APOLBCYP2C19
SCHEMBL5213350 0.87 HTR1F (0.56) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5207967 0.87 HTR1F (0.58) HTR1FMEN1KMT2ALMNAPOLB
SCHEMBL5216545 0.87 HTR1F (0.58) HTR1FBRD4MEN1KMT2ACYP2C19
SCHEMBL5211204 0.87 HTR1F (0.58) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5208551 0.85 HTR1F (0.62) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5210461 0.84 HTR1F (0.60) HTR1FMEN1KMT2APOLBCYP2C9
SCHEMBL5212060 0.83 HTR1F (0.68) HTR1FMEN1KMT2ALMNAPOLB
SCHEMBL5208584 0.82 POLB (0.62) HTR1FMEN1KMT2ALMNAPOLB

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 7 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
CN-1149195-C 5-HTIF agonists 2004-05-12 CN disclosed
CN-1340045-A 5-HTIF agonists LILLY CO ELI (US) 2002-03-13 CN 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 1/4885BRD4 2620/4885CHRM5 768/4885

“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.