SCHEMBL4509299

SCHEMBL4509299

CN1CCC(Sc2cc(F)cc(NC(=O)c3ccccc3Cl)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 5/20 0.46
▸ WDR5 P61964 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BDKRB1 P46663 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 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
SCHEMBL4503651 0.81 HTR1F (0.49) HTR1FWDR5HPGDRAB9AKMT2A
SCHEMBL4505985 0.80 GPR6 (0.48) HTR1FWDR5ALDH1A1CYP2D6LMNA
SCHEMBL4515254 0.75 KCNK3 (0.50) ALDH1A1RAB9AKMT2ACHRM5CHRM1
SCHEMBL4507679 0.74 HTR1F (0.46) HTR1FWDR5HPGDKMT2AMAPT
SCHEMBL13675117 0.72 NPC1 (0.46) HTR1FWDR5ALDH1A1CYP2D6LMNA
SCHEMBL12020933 0.72 HTR1F (0.46) HTR1FWDR5ALDH1A1LMNARAB9A
SCHEMBL4515319 0.71 SMN1; SMN2 (0.52) ALDH1A1LMNARAB9ABDKRB1KMT2A
SCHEMBL4504844 0.71 HTR1F (0.53) HTR1FWDR5ALDH1A1CYP2D6LMNA
SCHEMBL4510234 0.71 HTR1F (0.55) HTR1FWDR5HPGDRAB9A
SCHEMBL10260508 0.70 HTR1F (0.56) HTR1FWDR5ALDH1A1LMNAHPGD

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 3 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

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 2/4885WDR5 4022/4885ALDH1A1 1062/4885

“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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