SCHEMBL5309686

SCHEMBL5309686

CCC(C)S(=O)(=O)Nc1ccc2[nH]nc(C3CCN(C)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.42
AXL P30530 2/20 0.40
MAPK1 P28482 1/20 0.40
HTR1D P28221 10/20 0.39
HTR1B P28222 10/20 0.39
BRAF P15056 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1F P30939 1/20 0.37

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
SCHEMBL3147519 0.80 HTR6 (0.60) HTR6
SCHEMBL13947345 0.77 HTR6 (0.69) HTR6HTR1DHTR1BHTR1A
SCHEMBL3320144 0.76 HTR6 (0.53) HTR6HTR1A
SCHEMBL3323052 0.76 HTR6 (0.69) HTR6
SCHEMBL3143108 0.74 HTR6 (0.56) HTR6
SCHEMBL8149484 0.72 TP53 (0.48) HTR1DHTR1BHTR1AHTR1F
SCHEMBL18993225 0.72 ITK (0.46) HTR6AXLMAPK1HTR1DHTR1B
SCHEMBL5906326 0.71 TLR9 (0.35)
SCHEMBL3323083 0.71 HTR6 (0.72) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL27708765 0.71 HTR6 (0.41) HTR6AXLHTR1DHTR1BHTR1A

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-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
EP-0978514-B1 Indazole derivatives as 5-HT1F agonists LILLY CO ELI (US) 2004-12-15 EP disclosed
US-6133290-A 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
WO-2000006173-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0978514-A1 Indazole derivatives as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-02-09 EP 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 HTR6 14/4885AXL 3835/4885MAPK1 1566/4885

“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.