SCHEMBL5212140

SCHEMBL5212140

CN1CCC(C(=O)c2cccc(N(C(N)=S)c3ccncc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.43
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
PLOD1 Q02809 1/20 0.36
SLC18A3 Q16572 2/20 0.35

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
SCHEMBL5213197 0.91 HTR1F (0.44) HTR1FLMNAHSD11B1KDM2BCHRM4
SCHEMBL5209507 0.91 CHRM4 (0.47) HTR1FHSD11B1KDM2BCHRM4CHRM5
SCHEMBL5212446 0.90 SLC18A3 (0.44) HTR1FHSD11B1KDM2BNPSR1GAA
SCHEMBL5208449 0.88 MGLL (0.44) HTR1FHSD11B1KDM2BCHRM4CHRM5
SCHEMBL5211989 0.87 HTR1F (0.43) HTR1FHSD11B1KDM2BCHRM4CHRM5
SCHEMBL5212784 0.87 HTR1F (0.43) HTR1FHSD11B1KDM2BCHRM4CHRM5
SCHEMBL5208059 0.87 HTR1F (0.55) HTR1FHSD11B1
SCHEMBL5212253 0.87 MGLL (0.45) HTR1FHSD11B1KDM2BNPSR1
SCHEMBL5210307 0.87 HTR1F (0.44) HTR1FHSD11B1KDM2BCHRM4CHRM5
SCHEMBL5212312 0.86 HTR1F (0.43) 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 7 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
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 HTR1F 1/4885LMNA 2607/4885HSD11B1 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.