SCHEMBL5213422

SCHEMBL5213422

CN1CCC(C(=O)c2cccc(Nc3ccc(OC(F)(F)F)cc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.55
HSD11B1 P28845 2/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
MGLL Q99685 4/20 0.48
EPHX2 P34913 2/20 0.47
SCN9A Q15858 4/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5210147 0.93 HTR1F (0.59) HTR1FHSD11B1MGLLSCN9AMEN1
SCHEMBL5212621 0.88 HTR1F (0.74) HTR1FHSD11B1MGLLPOLB
SCHEMBL5210844 0.87 HTR1F (0.56) HTR1FHSD11B1MGLLMEN1KMT2A
SCHEMBL5212108 0.85 TCF4 (0.51) HTR1FHSD11B1MGLL
SCHEMBL5210017 0.85 HTR1F (0.53) HTR1FHSD11B1MGLLEPHX2TP53
SCHEMBL5212894 0.84 HTR1F (0.75) HTR1FHSD11B1MGLLMEN1KMT2A
SCHEMBL5215041 0.84 HTR1F (0.69) HTR1FHSD11B1MGLLTP53
SCHEMBL5208521 0.84 HTR1F (0.63) HTR1FMGLLSCN9ATP53MEN1
SCHEMBL5208614 0.83 HTR1F (0.56) HTR1FHSD11B1MGLLSCN9AMEN1
SCHEMBL5208398 0.83 HTR1F (0.60) HTR1FMGLLSCN9AMEN1KMT2A

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 1647/4885ABL1 2500/4885

“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.