SCHEMBL5210236

SCHEMBL5210236

CN1CCC(C(=O)c2cccc(NC(=O)Nc3ccccn3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.59
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
FLT3 P36888 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
PIM1 P11309 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
PIM3 Q86V86 1/20 0.52
AURKB Q96GD4 1/20 0.52
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL5214002 0.89 HTR1F (0.57) HTR1FNPC1RAB9ALMNASMN1; SMN2
SCHEMBL5212374 0.88 HTR1F (0.56) HTR1FPIP5K1CPIK3CAGSK3BDYRK1A
SCHEMBL5215939 0.87 HTR1F (0.67) HTR1FKMT2AMEN1TP53HTT
SCHEMBL5213210 0.85 HTR1F (0.62) HTR1FSMN1; SMN2HTR1ADRD2KMT2A
SCHEMBL5210313 0.83 ALDH1A1 (0.62) HTR1FNPC1RAB9ALMNACYP1A2
SCHEMBL5210817 0.83 HTR1F (0.65) HTR1FNPC1RAB9AKMT2A
SCHEMBL5214917 0.83 HTR1F (0.67) HTR1FKMT2AMEN1PIP5K1CPIK3CA
SCHEMBL5216477 0.82 HTR1F (0.64) HTR1FNPC1RAB9ALMNASMN1; SMN2
SCHEMBL5214297 0.82 HTR1F (0.64) HTR1FNPC1RAB9ALMNASMN1; SMN2
SCHEMBL5211786 0.82 HTR1F (0.73) HTR1FNPC1RAB9ACYP2C9CYP2C19

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 5 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

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 1/4885NPC1 840/4885RAB9A 3097/4885

“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.