SCHEMBL4515354

SCHEMBL4515354

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)c(F)c3F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 10/20 0.44
▸ MAPT P10636 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.41
▸ ACKR3 P25106 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ HTR1B P28222 3/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SETD2 Q9BYW2 1/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38

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) HTR1FMAPTTRPV4ACKR3ALDH1A1
Hydrochloric Acid SCHEMBL27630860 0.86 RAB9A (0.49) HTR1FMAPTACKR3RXFP1ALDH1A1
SCHEMBL10259591 0.85 RAB9A (0.48) HTR1FMAPTACKR3ALDH1A1HTR1D
SCHEMBL4507335 0.84 HTR1F (0.53) HTR1FMAPTACKR3HTR1AHTR1B
Hydrochloric Acid SCHEMBL4509020 0.84 RAB9A (0.47) HTR1FMAPTACKR3ALDH1A1HTR1D
SCHEMBL10260508 0.84 HTR1F (0.56) HTR1FMAPTACKR3ALDH1A1HTR1A
SCHEMBL4510216 0.83 HTR1F (0.53) HTR1FMAPTALDH1A1HTR1AHTR1B
Hydrochloric Acid SCHEMBL4509012 0.83 RAB9A (0.46) HTR1FMAPTACKR3ALDH1A1HTR1D
Hydrochloric Acid SCHEMBL4508907 0.83 HTR1F (0.55) HTR1FMAPTACKR3ALDH1A1HTR1A
SCHEMBL4515858 0.82 HTR1F (0.46) HTR1FTRPV4ACKR3ALDH1A1HTR1A

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 6 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
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 2/4885MAPT 3174/4885TRPV4 83/4885

“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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