SCHEMBL4503794

SCHEMBL4503794

CN1CCC(Oc2cccc(NC(=O)c3c(F)cccc3F)c2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 7/20 0.49
▸ GPR6 P46095 4/20 0.47
▸ ATR Q13535 3/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ PDE4D Q08499 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4492168 0.93 HTR1F (0.48) HTR1FGPR6ATR
SCHEMBL4506654 0.92 HTR1F (0.53) HTR1FGPR6ATRKMT2ACHRM5
SCHEMBL4494292 0.85 HTR1F (0.53) HTR1FKMT2APDE4D
SCHEMBL10259172 0.85 GPR6 (0.54) HTR1FGPR6KMT2A
Hydrochloric Acid SCHEMBL4506328 0.84 GPR6 (0.53) HTR1FGPR6KMT2A
SCHEMBL4504844 0.83 HTR1F (0.53) HTR1FGPR6KMT2AKDM4E
SCHEMBL10259733 0.83 HTR1F (0.51) HTR1FGPR6KMT2AKDM4ENPY1R
Hydrochloric Acid SCHEMBL4514308 0.82 HTR1F (0.50) HTR1FGPR6KMT2AKDM4ENPY1R
SCHEMBL4504390 0.81 HTR1F (0.49) HTR1FGPR6KMT2A
SCHEMBL4493318 0.80 ALDH1A1 (0.47) HTR1FGPR6ATRKMT2ASMN1; SMN2

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-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-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-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 HTR1F 2/4885GPR6 117/4885ATR 4835/4885

“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.

Send feedback