SCHEMBL5215906

SCHEMBL5215906

CN1CCC(C(=O)c2cccc(NC(=O)Nc3ccc(I)cc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.62
EPHX2 P34913 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5212794 0.91 HTR1F (0.60) HTR1FKMT2AMEN1ALDH1A1NPC1
SCHEMBL5215939 0.90 HTR1F (0.67) HTR1FEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5214297 0.89 HTR1F (0.64) HTR1FEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5212810 0.88 HTR1F (0.79) HTR1FKMT2AMEN1
SCHEMBL5212844 0.88 HTR1F (0.62) HTR1FEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5213347 0.88 HTR1F (0.79) HTR1FEPHX2KMT2AMEN1
SCHEMBL5212335 0.88 HTR1F (0.62) HTR1FEPHX2KMT2AMEN1NPC1
SCHEMBL5214552 0.88 HTR1F (0.58) HTR1FKMT2AMEN1
SCHEMBL5208424 0.86 HTR1F (0.60) HTR1FEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5212330 0.86 HTR1F (0.60) HTR1FEPHX2KMT2AMEN1TP53

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 1/4885EPHX2 848/4885KMT2A 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.