SCHEMBL5212253

SCHEMBL5212253

CN1CCC(C(=O)c2cccc(N(C(N)=S)c3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR1F P30939 1/20 0.43
KDM2B Q8NHM5 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HSD11B1 P28845 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
SCHEMBL5211094 0.93 NPSR1 (0.51) MGLLNPSR1HTR1FKDM2BMEN1
SCHEMBL5212326 0.91 MGLL (0.47) MGLLNPSR1HTR1FKDM2BMEN1
SCHEMBL5209507 0.91 CHRM4 (0.47) MGLLNPSR1HTR1FKDM2BMEN1
SCHEMBL5208449 0.90 MGLL (0.44) MGLLNPSR1HTR1FKDM2BMEN1
SCHEMBL5208059 0.89 HTR1F (0.55) HTR1FKMT2AHSD11B1
SCHEMBL5212784 0.89 HTR1F (0.43) MGLLNPSR1HTR1FKDM2BHSD11B1
SCHEMBL5211989 0.89 HTR1F (0.43) MGLLNPSR1HTR1FKDM2BHSD11B1
SCHEMBL5211781 0.88 HTR1F (0.41) NPSR1HTR1FKDM2BHRH3HSD11B1
SCHEMBL5214804 0.88 MEN1 (0.48) MGLLHTR1FKDM2BMEN1KMT2A
SCHEMBL5212140 0.87 HTR1F (0.43) NPSR1HTR1FKDM2BHSD11B1

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 MGLL 1283/4885NPSR1 40/4885HTR1F 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.