SCHEMBL5209961

SCHEMBL5209961

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 9/20 0.51
HSD11B1 P28845 4/20 0.48
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
MGLL Q99685 1/20 0.43
KDM2B Q8NHM5 1/20 0.41
CYP2D6 P10635 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
SCHEMBL5208059 0.93 HTR1F (0.55) HTR1FHSD11B1KMT2A
SCHEMBL5211775 0.91 HTR1F (0.53) HTR1FHSD11B1KMT2ACYP2C9CYP2C19
SCHEMBL5209507 0.90 CHRM4 (0.47) HTR1FHSD11B1KMT2AMEN1MGLL
Phthalic Acid SCHEMBL5212801 0.88 HTR1F (0.45) HTR1FHSD11B1KMT2ACYP2C9CYP2C19
SCHEMBL5210307 0.88 HTR1F (0.44) HTR1FHSD11B1KMT2AMEN1MGLL
SCHEMBL5208449 0.87 MGLL (0.44) HTR1FHSD11B1KMT2AMEN1MGLL
SCHEMBL5211094 0.87 NPSR1 (0.51) HTR1FHSD11B1KMT2AMEN1MGLL
SCHEMBL5212312 0.87 HTR1F (0.43) HTR1FHSD11B1MGLLKDM2B
SCHEMBL5257807 0.86 HTR1F (0.46) HTR1FHSD11B1KMT2ACYP2C9CYP2C19
SCHEMBL5212140 0.86 HTR1F (0.43) HTR1FHSD11B1KDM2B

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 HTR1F 1/4885HSD11B1 1647/4885KMT2A 3859/4885

“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.