SCHEMBL5209968

SCHEMBL5209968

CN1CCC(C(=O)c2cccc(NC(=S)Nc3cccc(F)c3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.71
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 2/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL27548901 0.94 HTR1F (0.69) HTR1FKMT2AMEN1GAACYP2C9
SCHEMBL5208065 0.92 HTR1F (0.76) HTR1FKMT2AMEN1GAACYP2C9
SCHEMBL5211786 0.91 HTR1F (0.73) HTR1FKMT2AMEN1CYP2C9CYP2C19
SCHEMBL5209513 0.90 HTR1F (0.65) HTR1FKMT2AMEN1GAACYP2C9
SCHEMBL27544610 0.89 HTR1F (0.65) HTR1FKMT2AMEN1GAACYP2C9
SCHEMBL5208415 0.88 HTR1F (0.69) HTR1FKMT2AMEN1CYP2C9CYP2C19
Phthalic Acid SCHEMBL5212806 0.88 HTR1F (0.61) HTR1FKMT2AMEN1GAACYP2C9
SCHEMBL5210311 0.87 HTR1F (0.62) HTR1FKMT2AMEN1GAAALDH1A1
SCHEMBL5213369 0.87 HTR1F (0.83) HTR1FKMT2AMEN1CYP2C9CYP2C19
SCHEMBL5212259 0.87 HTR1F (0.65) HTR1FKMT2AMEN1ALDH1A1

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
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
CN-1149195-C 5-HTIF agonists 2004-05-12 CN disclosed
CN-1340045-A 5-HTIF agonists LILLY CO ELI (US) 2002-03-13 CN 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.