SCHEMBL5214286

SCHEMBL5214286

Cc1ccc(N(C(N)=O)c2cccc(C(=O)C3CCN(C)CC3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.46
HTR1F P30939 2/20 0.45
HSD11B1 P28845 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM2B Q8NHM5 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 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
SCHEMBL5210802 0.92 HTR1F (0.46) MGLLHTR1FHSD11B1MEN1KMT2A
SCHEMBL5215935 0.92 CHRM4 (0.49) MGLLHTR1FHSD11B1MEN1KMT2A
SCHEMBL5208449 0.91 MGLL (0.44) MGLLHTR1FHSD11B1MEN1KMT2A
SCHEMBL5212326 0.90 MGLL (0.47) MGLLHTR1FHSD11B1MEN1KMT2A
SCHEMBL5213335 0.90 HTR1F (0.57) HTR1FHSD11B1KMT2A
SCHEMBL5212835 0.90 HTR1F (0.44) MGLLHTR1FHSD11B1KDM2BCHRM4
SCHEMBL5215896 0.90 HTR1F (0.44) MGLLHTR1FHSD11B1KDM2BCHRM4
SCHEMBL5208411 0.88 HTR1F (0.43) HTR1FHSD11B1KDM2BCHRM4CHRM5
SCHEMBL5212318 0.88 KMT2A (0.49) MGLLHTR1FHSD11B1MEN1KMT2A
SCHEMBL5213197 0.88 HTR1F (0.44) HTR1FHSD11B1KDM2BCHRM4CHRM5

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 1283/4885HTR1F 1/4885HSD11B1 1647/4885

“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.