SCHEMBL4505985

SCHEMBL4505985

CN1CCC(Oc2cc(F)cc(NC(=O)c3ccccc3Cl)c2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 8/20 0.48
▸ WDR5 P61964 3/20 0.47
▸ HTR1F P30939 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ GRM4 Q14833 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
SCHEMBL4504844 0.88 HTR1F (0.53) GPR6WDR5HTR1FALDH1A1KDM4E
SCHEMBL4504390 0.82 HTR1F (0.49) GPR6WDR5HTR1FKMT2A
SCHEMBL4509299 0.80 HTR1F (0.46) WDR5HTR1FALDH1A1KDM4EKMT2A
SCHEMBL10267494 0.79 GRM4 (0.51) ALDH1A1KDM4EKMT2AMAPTCYP2D6
SCHEMBL4493318 0.79 ALDH1A1 (0.47) GPR6HTR1FALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL4509011 0.78 GRM4 (0.50) ALDH1A1KDM4EKMT2AMAPTCYP2D6
SCHEMBL10259733 0.76 HTR1F (0.51) GPR6HTR1FKDM4EKMT2ABRPF1
SCHEMBL10259172 0.76 GPR6 (0.54) GPR6HTR1FKMT2A
SCHEMBL10259902 0.75 MEN1 (0.54) HTR1FALDH1A1KMT2AMAPTLMNA
SCHEMBL4505771 0.75 HTR1F (0.47) GPR6WDR5HTR1FKDM4EKMT2A

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 GPR6 117/4885WDR5 4022/4885HTR1F 2/4885

“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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