SCHEMBL4511326

SCHEMBL4511326

CN1CCC(Oc2cccc(NC(=O)c3cc(F)c[nH]3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
DYRK1A Q13627 2/20 0.52
HTR1F P30939 8/20 0.51
MAPK7 Q13164 2/20 0.51
HTR1A P08908 4/20 0.48
HTR1D P28221 4/20 0.48
HTR1B P28222 3/20 0.48
KMT2A Q03164 1/20 0.43
PRKAA2 P54646 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL10259612 0.86 HTR1F (0.67) GSK3BDYRK1AHTR1FHTR1AHTR1D
Hydrochloric Acid SCHEMBL4499432 0.85 HTR1F (0.66) GSK3BDYRK1AHTR1FHTR1AHTR1D
SCHEMBL4506952 0.84 GSK3B (0.50) GSK3BDYRK1AHTR1FMAPK7KDM1A
SCHEMBL10261558 0.82 GSK3B (0.54) GSK3BDYRK1AHTR1FHTR1AHTR1D
SCHEMBL13674973 0.82 RAB9A (0.60) GSK3BDYRK1AHTR1FHTR1DKMT2A
SCHEMBL10262389 0.82 RAB9A (0.59) GSK3BDYRK1AHTR1FKMT2AF2
SCHEMBL10261060 0.81 GSK3B (0.56) GSK3BDYRK1AHTR1FKMT2A
Hydrochloric Acid SCHEMBL4510555 0.81 GSK3B (0.53) GSK3BDYRK1AHTR1FHTR1AHTR1D
Hydrochloric Acid SCHEMBL4503762 0.81 RAB9A (0.59) GSK3BDYRK1AHTR1FHTR1DKMT2A
Hydrochloric Acid SCHEMBL4508721 0.81 NPC1 (0.57) GSK3BDYRK1AHTR1FKMT2AF2

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-1626958-B1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS LILLY CO ELI (US) 2012-06-27 EP disclosed
US-7608629-B2 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists ELILILLY AND COMPANY (US) 2006-09-21 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-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists HTR1A, HTR1F, HTR5A GSK3B 3187/4885DYRK1A 4610/4885HTR1F 2/4885

“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.