SCHEMBL4516733

SCHEMBL4516733

CN1CCC(Oc2cccc(NC(=O)c3c(F)cccc3C(F)(F)F)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 7/20 0.48
HTR1D P28221 2/20 0.48
DRD5 P21918 2/20 0.48
CHRM5 P08912 1/20 0.48
HTR1E P28566 1/20 0.48
HTR7 P34969 1/20 0.48
OPRK1 P41145 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 3/20 0.42
HTR1B P28222 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 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
SCHEMBL4504177 0.91 HTR1F (0.57) HTR1FHTR1DDRD5CHRM5HTR1E
Hydrochloric Acid SCHEMBL4495932 0.90 HTR1F (0.56) HTR1FHTR1DDRD5CHRM5HTR1E
Hydrochloric Acid SCHEMBL4495915 0.89 HTR1F (0.55) HTR1FHTR1DDRD5CHRM5HTR1E
SCHEMBL4504737 0.86 HTR1F (0.61) HTR1FHTR1DDRD5CHRM5HTR1E
Hydrochloric Acid SCHEMBL4510416 0.85 HTR1F (0.60) HTR1FHTR1DDRD5CHRM5HTR1E
Hydrochloric Acid SCHEMBL4510413 0.85 HTR1F (0.59) HTR1FHTR1DDRD5CHRM5HTR1E
SCHEMBL4503014 0.84 HTR1F (0.68) HTR1FHTR1DDRD5CHRM5HTR1E
SCHEMBL4509643 0.84 HTR1F (0.48) HTR1FHTR1DDRD5CHRM5HTR1E
Hydrochloric Acid SCHEMBL4493509 0.83 HTR1F (0.67) HTR1FHTR1DDRD5CHRM5HTR1E
SCHEMBL10261377 0.82 HTR1F (0.55) HTR1FHTR1DDRD5CHRM5HTR1E

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 2/4885HTR1D 5/4885DRD5 906/4885

“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.