SCHEMBL4494992

SCHEMBL4494992

CN1CCC(Sc2cccc(N)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CRBN Q96SW2 1/20 0.35
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RAD52 P43351 1/20 0.34
GAA P10253 1/20 0.34
DRD1 P21728 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL15720972 0.84 CYP3A4 (0.44) KMT2ACRBNCYP3A4CASP1RECQL
SCHEMBL29973517 0.81 MAOA (0.42) KMT2ACRBNCYP3A4CASP1RECQL
SCHEMBL4874579 0.80 GAA (0.44) ADRA2CCARM1PRMT6SMN1; SMN2HTR1D
SCHEMBL4864451 0.79 CARM1 (0.61) CARM1PRMT6SMN1; SMN2KMT2AKDM4E
SCHEMBL5635602 0.78 OPRK1 (0.43) ADRA2CCYP3A4MAPTDRD1SIGMAR1
SCHEMBL5635606 0.78 OPRK1 (0.43) ADRA2CCYP3A4MAPTDRD1SIGMAR1
SCHEMBL4504555 0.78 OPRK1 (0.54) KMT2AKDM4E
SCHEMBL4514790 0.77 MEN1 (0.44) KMT2ACRBNCYP3A4CASP1RECQL
SCHEMBL4504980 0.76 CARM1 (0.35) CARM1PRMT6SMN1; SMN2HTR1DHTR1B
SCHEMBL14082421 0.76 GAA (0.36) CARM1PRMT6SMN1; SMN2HTR1DHTR1B

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 9 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
CN-1777584-A As 5-HT1F(Piperidyloxy) phenyl, (peridyloxy) pyridyl, (peridylthio) phenyl and (peridylthio) pyridyl compounds of agonists LILLY CO ELI (US) 2006-05-24 CN 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 ADRA2C 286/4885CARM1 4758/4885PRMT6 2897/4885

“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.