SCHEMBL5214552

SCHEMBL5214552

CN1CCC(C(=O)c2cccc(Nc3ccc(I)cc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 9/20 0.58
MGLL Q99685 3/20 0.50
PIP5K1C O60331 1/20 0.45
PIK3CA P42336 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN9A Q15858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 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
SCHEMBL5208521 0.90 HTR1F (0.63) HTR1FMGLLPIP5K1CPIK3CAMEN1
SCHEMBL5208398 0.89 HTR1F (0.60) HTR1FMGLLPIP5K1CPIK3CAMEN1
SCHEMBL5215906 0.88 HTR1F (0.62) HTR1FMEN1KMT2A
SCHEMBL5210028 0.88 HTR1F (0.58) HTR1FMGLLMEN1KMT2ASCN9A
SCHEMBL5210066 0.88 HTR1F (0.58) HTR1FMGLLPIP5K1CPIK3CAMEN1
SCHEMBL5212894 0.88 HTR1F (0.75) HTR1FMGLLMEN1KMT2ACCNT1
SCHEMBL5212794 0.86 HTR1F (0.60) HTR1FMEN1KMT2A
SCHEMBL5212810 0.86 HTR1F (0.79) HTR1FMEN1KMT2A
SCHEMBL5210844 0.86 HTR1F (0.56) HTR1FMGLLMEN1KMT2A
SCHEMBL5210360 0.86 HTR1F (0.56) HTR1FMGLLPIP5K1CPIK3CAMEN1

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 1/4885MGLL 1283/4885PIP5K1C 2787/4885

“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.