SCHEMBL5213469

SCHEMBL5213469

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
HTR1F P30939 1/20 0.53
PGR P06401 3/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
STS P08842 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
KDR P35968 2/20 0.48
AURKA O14965 1/20 0.48
FLT1 P17948 1/20 0.48
FLT3 P36888 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HSD11B1 P28845 2/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5213119 0.90 EGFR (0.57) NPSR1HTR1FALDH1A1KDRAURKA
SCHEMBL5213124 0.89 HTR1F (0.56) HTR1FTP53ALDH1A1KDRLMNA
SCHEMBL5212417 0.88 MAPT (0.54) HTR1FTP53ALDH1A1KDRAURKA
SCHEMBL5210387 0.87 HTR1F (0.53) HTR1FTP53ALDH1A1PKMSMN1; SMN2
SCHEMBL5208584 0.87 POLB (0.62) NPSR1HTR1FHTTALDH1A1SMN1; SMN2
SCHEMBL5212625 0.86 ALDH1A1 (0.57) NPSR1HTR1FTP53HTTALDH1A1
SCHEMBL5212363 0.85 TCF4 (0.59) NPSR1HTR1FTP53HTTALDH1A1
SCHEMBL5210217 0.85 ALDH1A1 (0.57) HTR1FHTTALDH1A1KDM4EPKM
SCHEMBL5208551 0.84 HTR1F (0.62) NPSR1HTR1FALDH1A1LMNA
SCHEMBL5208596 0.84 HTR1F (0.53) NPSR1HTR1FTP53ALDH1A1KDR

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 NPSR1 40/4885HTR1F 1/4885PGR 3679/4885

“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.