SCHEMBL5216545

SCHEMBL5216545

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccccc3F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.58
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.48
RORC P51449 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRD4 O60885 1/20 0.47
NLRP3 Q96P20 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
SGK1 O00141 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
SCHEMBL5210237 0.93 HTR1F (0.57) HTR1FALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5211204 0.89 HTR1F (0.58) HTR1FALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5207977 0.88 HTR1F (0.53) HTR1FKMT2AMEN1SMN1; SMN2
SCHEMBL5215789 0.88 HTR1F (0.53) HTR1FALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5212370 0.88 HTR1F (0.56) HTR1FALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5213350 0.88 HTR1F (0.56) HTR1FALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5212110 0.87 HTR1F (0.53) HTR1FKMT2AMEN1SMN1; SMN2
SCHEMBL5210116 0.87 HTR1F (0.53) HTR1FKMT2AMEN1SMN1; SMN2BRD4
SCHEMBL5212720 0.87 HTR1F (0.53) HTR1FBRD4
SCHEMBL5211702 0.87 HTR1F (0.58) HTR1FKMT2AMEN1CYP2C19BRD4

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 7 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
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 1/4885ALDH1A1 1445/4885KMT2A 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.