SCHEMBL5212263

SCHEMBL5212263

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.60
KMT2A Q03164 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MGLL Q99685 4/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 4/20 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
SCHEMBL5211098 0.92 HTR1F (0.61) HTR1FKMT2ANPC1RAB9AALDH1A1
SCHEMBL5212335 0.91 HTR1F (0.62) HTR1FKMT2ANPC1RAB9AMGLL
SCHEMBL5209513 0.91 HTR1F (0.65) HTR1FKMT2ANPC1RAB9AALDH1A1
SCHEMBL5208457 0.90 HTR1F (0.61) HTR1FKMT2ANPC1RAB9AALDH1A1
SCHEMBL5212794 0.89 HTR1F (0.60) HTR1FKMT2ANPC1ALDH1A1LMNA
SCHEMBL5211999 0.89 HTR1F (0.60) HTR1FKMT2ANPC1RAB9AALDH1A1
SCHEMBL5208065 0.89 HTR1F (0.76) HTR1FKMT2ALMNASMN1; SMN2GAA
SCHEMBL27544610 0.88 HTR1F (0.65) HTR1FKMT2AALDH1A1LMNAGAA
SCHEMBL5211088 0.87 HTR1F (0.58) HTR1FKMT2ANPC1RAB9AALDH1A1
SCHEMBL5211793 0.87 HTR1F (0.58) HTR1FKMT2ANPC1ALDH1A1LMNA

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 1/4885KMT2A 3859/4885NPC1 840/4885

“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.