SCHEMBL4515858

SCHEMBL4515858

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 6/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.45
▸ PTGS1 P23219 1/20 0.43
▸ SMO Q99835 1/20 0.41
▸ WDR5 P61964 5/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KCNK3 O14649 2/20 0.40
▸ KCNK9 Q9NPC2 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40

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
SCHEMBL4508139 0.88 HTR1F (0.53) HTR1FTRPV4ACKR3ALDH1A1HTR1A
SCHEMBL10260508 0.86 HTR1F (0.56) HTR1FWDR5ACKR3ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL4508907 0.85 HTR1F (0.55) HTR1FWDR5ACKR3ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL4508902 0.85 HTR1F (0.57) HTR1FWDR5ACKR3ALDH1A1
SCHEMBL12020965 0.83 LCK (0.49) HTR1FTRPV4PTGS1SMOWDR5
SCHEMBL10258669 0.83 HTR1F (0.66) HTR1FKCNK3KCNK9HTR1AHTR1D
Hydrochloric Acid SCHEMBL1197922 0.82 LCK (0.49) HTR1FTRPV4PTGS1SMOWDR5
SCHEMBL4515354 0.82 HTR1F (0.44) HTR1FTRPV4ACKR3ALDH1A1HTR1A
SCHEMBL4496011 0.82 WDR5 (0.46) HTR1FWDR5HTR1AHTR1BLCK
SCHEMBL13675116 0.82 HTR1F (0.48) HTR1FWDR5HTR1AHTR1DHTR1B

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 2/4885TRPV4 83/4885PTGS1 234/4885

“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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