SCHEMBL5216470

SCHEMBL5216470

CN1CCC(C(=O)c2cccc(N(C(N)=O)c3cccc(Cl)c3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
MGLL Q99685 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM2B Q8NHM5 5/20 0.46
HTR1F P30939 2/20 0.45
HSD11B1 P28845 2/20 0.45
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL5212326 0.92 MGLL (0.47) NPSR1MGLLMEN1KMT2AKDM2B
SCHEMBL5211094 0.91 NPSR1 (0.51) NPSR1MGLLMEN1KMT2AKDM2B
SCHEMBL5215935 0.90 CHRM4 (0.49) NPSR1MGLLMEN1KMT2AKDM2B
SCHEMBL5210802 0.87 HTR1F (0.46) NPSR1MGLLMEN1KMT2AKDM2B
SCHEMBL5212008 0.87 HTR1F (0.48) NPSR1MGLLMEN1KMT2AKDM2B
SCHEMBL5214286 0.86 MGLL (0.46) NPSR1MGLLMEN1KMT2AKDM2B
SCHEMBL5211775 0.86 HTR1F (0.53) MGLLMEN1KMT2AKDM2BHTR1F
SCHEMBL5215397 0.85 HTR1F (0.52) MEN1KMT2AKDM2BHTR1FHSD11B1
SCHEMBL5212835 0.85 HTR1F (0.44) NPSR1MGLLKDM2BHTR1FHSD11B1
SCHEMBL5213197 0.85 HTR1F (0.44) NPSR1KDM2BHTR1FHSD11B1

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 NPSR1 40/4885MGLL 1283/4885MEN1 749/4885

“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.