SCHEMBL5208596

SCHEMBL5208596

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccncc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.53
EGFR P00533 2/20 0.47
FGFR1 P11362 2/20 0.47
KDR P35968 2/20 0.47
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NOD2 Q9HC29 1/20 0.44
TCF4 P15884 2/20 0.44
CTNNB1 P35222 2/20 0.44
TRIM24 O15164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
ATIC P31939 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
SCHEMBL5213124 0.90 HTR1F (0.56) HTR1FEGFRFGFR1KDRPOLB
SCHEMBL5210057 0.89 HTR1F (0.51) HTR1FEGFRFGFR1KDRPOLB
SCHEMBL5212363 0.88 TCF4 (0.59) HTR1FPOLBKMT2AMEN1ALDH1A1
SCHEMBL5213119 0.87 EGFR (0.57) HTR1FEGFRFGFR1KDRPOLB
SCHEMBL5210843 0.87 ITGA1 (0.58) HTR1FEGFRFGFR1KDRPOLB
SCHEMBL5212060 0.87 HTR1F (0.68) HTR1FPOLBKMT2AMEN1MAPT
SCHEMBL5214543 0.87 ITGA1 (0.58) HTR1FEGFRFGFR1KDRPOLB
SCHEMBL5216484 0.85 TCF4 (0.64) HTR1FKMT2AMEN1ALDH1A1TCF4
SCHEMBL5212974 0.85 ATIC (0.62) HTR1FPOLBKMT2AMEN1ALDH1A1
SCHEMBL5208551 0.85 HTR1F (0.62) HTR1FPOLBKMT2AMEN1ALDH1A1

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 1/4885EGFR 3676/4885FGFR1 2793/4885

“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.