SCHEMBL5214002

SCHEMBL5214002

CN1CCC(C(=O)c2cccc(NC(=S)Nc3ccccn3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.57
RAB9A P51151 6/20 0.55
NPSR1 Q6W5P4 3/20 0.55
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX12 P18054 2/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.45
PIP5K1C O60331 1/20 0.45
PIK3CA P42336 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
KDR P35968 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
SCHEMBL5210236 0.89 HTR1F (0.59) HTR1FRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5209513 0.88 HTR1F (0.65) HTR1FRAB9ANPC1SMN1; SMN2ALOX12
SCHEMBL5212151 0.86 HTR1F (0.60) HTR1FNPC1MEN1ALDH1A1GAA
SCHEMBL5212374 0.86 HTR1F (0.56) HTR1FPIP5K1CPIK3CAGSK3BDYRK1A
SCHEMBL5212454 0.84 HTR1F (0.58) HTR1FRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5210311 0.84 HTR1F (0.62) HTR1FRAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL5212259 0.83 HTR1F (0.65) HTR1FRAB9ANPC1MEN1ALDH1A1
SCHEMBL5208457 0.83 HTR1F (0.61) HTR1FRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5211098 0.83 HTR1F (0.61) HTR1FRAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL5209968 0.83 HTR1F (0.71) HTR1FMEN1ALDH1A1GAAKMT2A

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 1/4885RAB9A 3097/4885NPSR1 40/4885

“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.