SCHEMBL4515697

SCHEMBL4515697

CNc1cccc(OC2CCN(C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CDK2 P24941 2/20 0.43
AURKA O14965 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
SLC6A4 P31645 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
SCHEMBL23969957 0.92 ADORA2A (0.44) CARM1PRMT6SMN1; SMN2HRH3MAOA
SCHEMBL14578194 0.89 SMN1; SMN2 (0.48) CARM1PRMT6SMN1; SMN2HRH3MAOA
SCHEMBL26739664 0.87 APP (0.44) CARM1PRMT6SLC6A4
SCHEMBL13105709 0.84 F2 (0.48) HRH3SLC6A4ALDH1A1
SCHEMBL13105761 0.83 F2 (0.47) SMN1; SMN2SLC6A4ALDH1A1
SCHEMBL4149757 0.82 CYP2D6 (0.56) SMN1; SMN2HRH3CDK2GSK3BDYRK1A
SCHEMBL14577950 0.82 ADORA2A (0.44) CDK2AURKACCNA2CCNA1CHRM4
SCHEMBL374361 0.81 MEN1 (0.48) CDK2AURKACCNA2CCNA1EGFR
SCHEMBL14824591 0.81 HRH3 (0.59) CARM1PRMT6SMN1; SMN2HRH3MAOA
SCHEMBL10259928 0.80 ALDH1A1 (0.55) SMN1; SMN2CDK2GSK3BDYRK1AALDH1A1

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 CARM1 4758/4885PRMT6 2897/4885SMN1; SMN2 1326/4885

“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.