SCHEMBL5215397

SCHEMBL5215397

CN1CCC(C(=O)c2cccc(N(C(N)=O)c3cc(F)cc(F)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 11/20 0.52
HSD11B1 P28845 4/20 0.49
CHRM5 P08912 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
OPRK1 P41145 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL5211775 0.94 HTR1F (0.53) HTR1FHSD11B1KMT2AMEN1CYP2C9
SCHEMBL5213335 0.91 HTR1F (0.57) HTR1FHSD11B1KMT2A
SCHEMBL5215935 0.89 CHRM4 (0.49) HTR1FHSD11B1CHRM5KMT2AMEN1
SCHEMBL5212008 0.88 HTR1F (0.48) HTR1FHSD11B1CHRM5DRD5HTR1D
SCHEMBL5211861 0.86 HTR1F (0.48) HTR1FHSD11B1CHRM5DRD5HTR1D
SCHEMBL5210802 0.86 HTR1F (0.46) HTR1FHSD11B1CHRM5KMT2AMEN1
SCHEMBL5209961 0.86 HTR1F (0.51) HTR1FHSD11B1KMT2AMEN1CYP2C9
SCHEMBL5214286 0.85 MGLL (0.46) HTR1FHSD11B1CHRM5KMT2AMEN1
SCHEMBL5216470 0.85 NPSR1 (0.53) HTR1FHSD11B1KMT2AMEN1KDM2B
Phthalic Acid SCHEMBL5212801 0.85 HTR1F (0.45) HTR1FHSD11B1CHRM5DRD5HTR1D

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 1647/4885CHRM5 768/4885

“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.