SCHEMBL4508139

SCHEMBL4508139

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 9/20 0.53
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ACKR3 P25106 1/20 0.45
▸ HTR1A P08908 2/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HTR1B P28222 2/20 0.42
▸ AVPR2 P30518 1/20 0.42
▸ GPR27 Q9NS67 1/20 0.42
▸ UBE2M P61081 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ TRPV4 Q9HBA0 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
SCHEMBL10260508 0.90 HTR1F (0.56) HTR1FALDH1A1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL4508907 0.89 HTR1F (0.55) HTR1FALDH1A1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL27630860 0.88 RAB9A (0.49) HTR1FALDH1A1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL4508902 0.88 HTR1F (0.57) HTR1FALDH1A1NPC1RAB9AMAPT
SCHEMBL4515858 0.88 HTR1F (0.46) HTR1FALDH1A1ACKR3HTR1AHTR1D
SCHEMBL4515354 0.88 HTR1F (0.44) HTR1FALDH1A1MAPTACKR3HTR1A
SCHEMBL4510216 0.87 HTR1F (0.53) HTR1FALDH1A1NPC1RAB9AMAPT
SCHEMBL10258669 0.86 HTR1F (0.66) HTR1FHTR1AHTR1DHTR1BUBE2M
Hydrochloric Acid SCHEMBL4494274 0.85 HTR1F (0.65) HTR1FHTR1AHTR1DHTR1BUBE2M
SCHEMBL10259591 0.85 RAB9A (0.48) HTR1FALDH1A1NPC1RAB9AMAPT

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 2/4885ALDH1A1 1062/4885NPC1 975/4885

“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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