SCHEMBL5216049

SCHEMBL5216049

CN1CCC(C(=O)c2cccc(NC(=O)Nc3cccc(F)c3F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 11/20 0.64
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CCR3 P51677 3/20 0.45
EPHX2 P34913 1/20 0.44
TP53 P04637 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
SCHEMBL5210434 0.93 HTR1F (0.65) HTR1FKMT2AMEN1CCR3
SCHEMBL5211871 0.90 HTR1F (0.64) HTR1FKMT2AMEN1CCR3EPHX2
SCHEMBL27472240 0.90 HTR1F (0.61) HTR1FKMT2AMEN1TP53
Formic Acid SCHEMBL5209726 0.89 HTR1F (0.58) HTR1FKMT2AMEN1CCR3EPHX2
SCHEMBL5213054 0.88 HTR1F (0.65) HTR1FKMT2AMEN1CCR3EPHX2
SCHEMBL5209311 0.88 HTR1F (0.61) HTR1FKMT2AMEN1TP53
SCHEMBL5212023 0.86 HTR1F (0.67) HTR1FKMT2AMEN1EPHX2
SCHEMBL5211786 0.85 HTR1F (0.73) HTR1FKMT2AMEN1EPHX2
SCHEMBL5210595 0.85 HTR1F (0.60) HTR1FKMT2AMEN1CCR3TP53
SCHEMBL5212582 0.85 HTR1F (0.60) HTR1FKMT2AMEN1CCR3EPHX2

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 3 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

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 1/4885KMT2A 3859/4885MEN1 749/4885

“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.