SCHEMBL4491466

SCHEMBL4491466

CN1CCC(Oc2c(F)cccc2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 5/20 0.40
HTR1A P08908 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SLC6A4 P31645 2/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 1/20 0.38
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL24697655 0.85 SLC6A2 (0.46) SLC6A2HTR1ASLC6A4SLC6A3
SCHEMBL16334980 0.82 SLC6A2 (0.44) SLC6A2HTR1ASLC6A4KMT2ASLC6A3
SCHEMBL31535455 0.82 SLC6A2 (0.44) SLC6A2HTR1ASLC6A4KMT2ASLC6A3
SCHEMBL4504051 0.79 KDM4E (0.44) SMN1; SMN2SLC6A2HRH3SLC6A4KMT2A
SCHEMBL31535343 0.77 SLC6A2 (0.40) SLC6A2HTR1ASLC6A4SLC6A3
SCHEMBL25937248 0.76 SLC6A2 (0.40) SLC6A2HTR1ASLC6A4SLC6A3
SCHEMBL31535524 0.76 SLC6A2 (0.41) SLC6A2HTR1ASLC6A4KMT2ASLC6A3
SCHEMBL4503421 0.74 KDM4E (0.51) SMN1; SMN2SLC6A2HTR1AHRH3KMT2A
SCHEMBL1929245 0.74 SMN1; SMN2 (0.51) SMN1; SMN2SLC6A2HTR1AHRH3KMT2A
SCHEMBL31535477 0.74 GRIN1 (0.41) SLC6A2HTR1ASLC6A4SLC6A3

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 SMN1; SMN2 1326/4885SLC6A2 161/4885HTR1A 1/4885

“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.