SCHEMBL5215935

SCHEMBL5215935

CN1CCC(C(=O)c2cccc(N(C(N)=O)c3ccccc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
HTR1F P30939 2/20 0.47
HSD11B1 P28845 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
MGLL Q99685 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SLC18A3 Q16572 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL5214286 0.92 MGLL (0.46) CHRM4CHRM5CHRM1CHRM3HTR1F
SCHEMBL5212835 0.91 HTR1F (0.44) CHRM4CHRM5CHRM1CHRM3HTR1F
SCHEMBL5215896 0.91 HTR1F (0.44) CHRM4CHRM5CHRM1CHRM3HTR1F
SCHEMBL5213335 0.91 HTR1F (0.57) HTR1FHSD11B1KMT2A
SCHEMBL5212326 0.91 MGLL (0.47) HTR1FHSD11B1KDM2BMGLLNPSR1
SCHEMBL5213197 0.91 HTR1F (0.44) CHRM4CHRM5CHRM1CHRM3HTR1F
SCHEMBL5210802 0.91 HTR1F (0.46) CHRM4CHRM5CHRM1CHRM3HTR1F
SCHEMBL5209507 0.91 CHRM4 (0.47) CHRM4CHRM5CHRM1CHRM3HTR1F
SCHEMBL5211775 0.90 HTR1F (0.53) HTR1FHSD11B1KDM2BMGLLKMT2A
SCHEMBL5216470 0.90 NPSR1 (0.53) HTR1FHSD11B1KDM2BMGLLNPSR1

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
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
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
EP-1153013-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000047559-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-17 WO 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 CHRM4 1485/4885CHRM5 768/4885CHRM1 1235/4885

“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.