SCHEMBL5308443

SCHEMBL5308443

O=C(Nc1ccc2[nH]nc(C3=CCN4CCCCC4C3)c2c1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.45
HTR1B P28222 8/20 0.45
HTR1F P30939 3/20 0.45
HTR1A P08908 2/20 0.45
MAPK1 P28482 3/20 0.44
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CHRM2 P08172 1/20 0.42
DRD2 P14416 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL5310428 0.89 LRRK2 (0.41) HTR1DHTR1BHTR1FHTR1A
SCHEMBL5309753 0.87 TTK (0.42)
SCHEMBL5310895 0.84 LRRK2 (0.47)
SCHEMBL5906407 0.83 TTK (0.51) MAPK1NPC1RAB9A
SCHEMBL8382972 0.81 HTR1D (0.54) HTR1DHTR1BHTR1FHTR1ACHRM2
SCHEMBL5906286 0.80 ITK (0.41) MAPK1
SCHEMBL5906238 0.79 KDR (0.37) MAPK1
SCHEMBL5309086 0.79 NR1H4 (0.45) MAPK1NPC1RAB9A
SCHEMBL8386592 0.79 HTR1F (0.44) HTR1DHTR1BHTR1FHTR1AMAPK1
Fumaric Acid SCHEMBL8386516 0.77 HTR1D (0.49) HTR1DHTR1BHTR1FHTR1ACHRM2

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 HTR1D 13/4885HTR1B 7/4885HTR1F 1/4885

“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.