SCHEMBL5212110

SCHEMBL5212110

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccccc3I)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.53
HTR6 P50406 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TRIM24 O15164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGA1 P56199 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL5207977 0.88 HTR1F (0.53) HTR1FHTR6NPSR1TRIM24SMN1; SMN2
SCHEMBL5215789 0.88 HTR1F (0.53) HTR1FNPSR1SMN1; SMN2TP53MEN1
SCHEMBL5210116 0.87 HTR1F (0.53) HTR1FHTR6NPSR1TRIM24SMN1; SMN2
SCHEMBL5216545 0.87 HTR1F (0.58) HTR1FSMN1; SMN2MEN1KMT2A
SCHEMBL5212720 0.85 HTR1F (0.53) HTR1FTP53
SCHEMBL5213124 0.84 HTR1F (0.56) HTR1FHTR6TRIM24ITGA1TP53
SCHEMBL5210237 0.84 HTR1F (0.57) HTR1FNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5210843 0.84 ITGA1 (0.58) HTR1FHTR6TRIM24SMN1; SMN2ITGA1
SCHEMBL5212867 0.84 L3MBTL1 (0.57) HTR1FSMN1; SMN2THRB
SCHEMBL5211204 0.83 HTR1F (0.58) HTR1FNPSR1SMN1; SMN2MEN1KMT2A

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 1/4885HTR6 14/4885NPSR1 40/4885

“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.