SCHEMBL4515306

SCHEMBL4515306

Nc1cccc(OC2CCNCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.47
ROCK1 Q13464 1/20 0.46
SYK P43405 2/20 0.44
BRD4 O60885 1/20 0.43
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
MCHR1 Q99705 3/20 0.40
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
IKBKB O14920 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PRMT5 O14744 1/20 0.39
PRKCZ Q05513 1/20 0.39

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
SCHEMBL38659372 0.88 MCHR1 (0.46) PIM1PIM2MCHR1SLC6A2
SCHEMBL23106989 0.84 MCHR1 (0.54) BRD4PIM1PIM2MCHR1SLC6A2
SCHEMBL4065515 0.84 MCHR1 (0.50) BRD4PIM1PIM2MCHR1SLC6A2
SCHEMBL2144242 0.83 MCHR1 (0.56) BRD4PIM1PIM2MCHR1SLC6A2
SCHEMBL4674512 0.80 MEN1 (0.50) HRH1ROCK1SYKBRD4PIM1
SCHEMBL942374 0.80 HRH1 (0.51) HRH1ROCK1SYKBRD4PIM1
SCHEMBL31118706 0.80 DHFR (0.41) MCHR1HTR1ASLC6A2
SCHEMBL4673396 0.80 BRD4 (0.48) HRH1ROCK1SYKBRD4PIM1
SCHEMBL30845430 0.80 BRD4 (0.48) HRH1ROCK1SYKBRD4PIM1
SCHEMBL5473678 0.80 HRH1 (0.47) HRH1ROCK1SYKBRD4PIM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658986-A Preparation method of AR antagonist TRC-253 湖南师范大学 2024-03-08 CN 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-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 HRH1 590/4885ROCK1 1916/4885SYK 3472/4885

“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.