SCHEMBL4510216

SCHEMBL4510216

CN1CCC(Sc2cccc(NC(=O)c3c(F)cc(F)cc3F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 12/20 0.53
▸ HTR1D P28221 3/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ DRD5 P21918 1/20 0.53
▸ HTR1E P28566 1/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ HTR1A P08908 4/20 0.46
▸ HTR1B P28222 3/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ LMNA P02545 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
SCHEMBL10259591 0.93 RAB9A (0.48) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL4509020 0.92 RAB9A (0.47) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL4509012 0.91 RAB9A (0.46) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4507445 0.88 HTR1F (0.45) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4508139 0.87 HTR1F (0.53) HTR1FHTR1DHTR1AHTR1BMAPT
SCHEMBL4507385 0.86 RAB9A (0.52) HTR1FMAPTALDH1A1RAB9ANPC1
SCHEMBL10258669 0.86 HTR1F (0.66) HTR1FHTR1DHTR1AHTR1BUBE2M
Hydrochloric Acid SCHEMBL4494274 0.85 HTR1F (0.65) HTR1FHTR1DHTR1AHTR1BUBE2M
SCHEMBL4514531 0.85 HTR1F (0.47) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4506117 0.84 TYK2 (0.48) HTR1FMAPT

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 2/4885HTR1D 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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