SCHEMBL5306459

SCHEMBL5306459

O=C(CCCc1ccccc1)Nc1ccc2[nH]nc(C3CCN4CCCCC4C3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.42
HTR1B P28222 8/20 0.42
TTK P33981 1/20 0.42
BRD4 O60885 1/20 0.42
PARP1 P09874 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM1A O60341 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
APP P05067 1/20 0.39
AURKA O14965 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
SCHEMBL8381725 0.85 HTR1D (0.58) HTR1DHTR1B
SCHEMBL8148201 0.85 ULK1 (0.44) TTKBRD4AURKA
SCHEMBL8148939 0.82 ULK1 (0.44) TTKBRD4AURKA
SCHEMBL5309301 0.81 JAK2 (0.53) HTR1DHTR1BBRD4NPC1RAB9A
SCHEMBL5906358 0.78 NPC1 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL5906438 0.77 HTR1D (0.36) HTR1DHTR1B
SCHEMBL5906442 0.77 HTR1D (0.36) HTR1DHTR1B
SCHEMBL5302823 0.77 JAK2 (0.43) PARP1AURKA
SCHEMBL5311332 0.77 JAK2 (0.56) NPC1RAB9ASMN1; SMN2
SCHEMBL5311677 0.77 JAK2 (0.55) HTR1DHTR1BBRD4NPC1RAB9A

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 7/4885TTK 3617/4885

“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.