SCHEMBL4496011

SCHEMBL4496011

CN1CCC(Sc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 13/20 0.46
▸ HTR1F P30939 4/20 0.43
▸ LCK P06239 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AURKA O14965 1/20 0.41

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
SCHEMBL4517381 0.88 HTR1F (0.55) HTR1FHTR1AHTR1B
SCHEMBL13675116 0.83 HTR1F (0.48) WDR5HTR1FHTR1AHTR1B
SCHEMBL4502359 0.82 HTR1F (0.43) HTR1FLCKMAPK14HTR1AHTR1B
SCHEMBL4515858 0.82 HTR1F (0.46) WDR5HTR1FLCKMAPK14HTR1A
SCHEMBL4498386 0.80 RAB9A (0.55) HTR1FHTR1A
SCHEMBL4502990 0.79 KCNQ3 (0.56) HTR1FHTR1AHTR1B
SCHEMBL4491851 0.77 NPC1 (0.54) SMN1; SMN2
SCHEMBL4515319 0.77 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL12020965 0.75 LCK (0.49) WDR5HTR1FLCKMAPK14
Hydrochloric Acid SCHEMBL1197922 0.74 LCK (0.49) WDR5HTR1FLCKMAPK14

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 WDR5 4022/4885HTR1F 2/4885LCK 4200/4885

“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.

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