SCHEMBL4501989

SCHEMBL4501989

Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1OC1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 7/20 0.54
▸ HTR1D P28221 2/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ DRD5 P21918 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
▸ KIT P10721 6/20 0.47
▸ CSF1R P07333 3/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ DDR1 Q08345 2/20 0.47
▸ ABL1 P00519 5/20 0.47
▸ LCK P06239 1/20 0.45
▸ BLK P51451 1/20 0.45
▸ DDR2 Q16832 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ MCHR1 Q99705 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
SCHEMBL4501532 0.89 TP53 (0.47) HTR1FCHRM5TMEM97SIGMAR1KIT
SCHEMBL10267808 0.88 HTR1F (0.53) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL4509359 0.88 HTR1F (0.52) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4509963 0.86 HTR1F (0.58) HTR1FHTR1DKITCSF1RPDGFRB
SCHEMBL4492648 0.85 MAPT (0.53) HTR1FKITCSF1RPDGFRBDDR1
SCHEMBL10261558 0.82 GSK3B (0.54) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4506973 0.82 HTR1F (0.58) HTR1FKITCSF1RPDGFRBDDR1
Hydrochloric Acid SCHEMBL4510555 0.81 GSK3B (0.53) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4508241 0.80 HTR1F (0.50) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL10259174 0.80 RAB9A (0.47) HTR1F

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-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
EP-1626958-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 — — EP disclosed
WO-2004094380-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 — — WO 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 5/4885CHRM5 739/4885

“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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