SCHEMBL4830474

SCHEMBL4830474

NCCCNC1CCN(Cc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.68
BACE1 P56817 13/20 0.68
ACHE P22303 12/20 0.68

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
SCHEMBL4830468 1.00 BCHE (0.68) BCHEBACE1ACHE
SCHEMBL5723548 0.92 ACHE (0.66) BCHEBACE1ACHE
SCHEMBL11577003 0.87 BCHE (0.69) BCHEBACE1ACHE
SCHEMBL9634965 0.85 BCHE (0.66) BCHEBACE1ACHE
SCHEMBL7807284 0.84 BCHE (0.73) BCHEBACE1ACHE
SCHEMBL12302951 0.83 BCHE (0.71) BCHEBACE1ACHE
SCHEMBL31075774 0.83 BCHE (0.63) BCHEBACE1ACHE
SCHEMBL22460408 0.82 BCHE (0.58) BCHEBACE1ACHE
SCHEMBL10059136 0.82 BCHE (0.61) BCHEBACE1ACHE
SCHEMBL4131291 0.81 ACHE (1.00) BCHEBACE1ACHE

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
US-7358239-B2 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-15 US disclosed
US-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives DE BRUYN MARCEL F L (BE) 2005-07-21 US disclosed
US-6900222-B1 Pyrrolidinyl, piperdinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-31 US disclosed
EP-1187831-B1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-10-13 EP disclosed
EP-1187831-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-20 EP disclosed
WO-2000075137-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-14 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-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives HRH2, CBR1, CBR3 BCHE 4078/4885BACE1 4461/4885ACHE 2865/4885

“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.