SCHEMBL2449959

SCHEMBL2449959

OC[C@H]1Cc2ccccc2[N]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2B P41595 1/20 0.37
CYP19A1 P11511 1/20 0.32
MAPT P10636 2/20 0.31
CTSD P07339 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
BCHE P06276 2/20 0.30
ACHE P22303 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2449491 1.00 CYP2D6 (0.39) CYP2D6MEN1RECQLKMT2AHTR2B
SCHEMBL1515132 1.00 CYP2D6 (0.39) CYP2D6MEN1RECQLKMT2AHTR2B
SCHEMBL6429519 0.76 NOS3 (0.36) CYP2D6MEN1RECQLKMT2ANOS3
SCHEMBL3373290 0.72 CYP2D6 (0.46) CYP2D6MEN1RECQLKMT2ACTSD
SCHEMBL840754 0.70 NOS3 (0.47) CYP2D6MEN1RECQLKMT2ACTSD
SCHEMBL31168159 0.69 TRPA1 (0.35) HTR2BCYP19A1
SCHEMBL8628901 0.69 TRPA1 (0.35) HTR2BCYP19A1
SCHEMBL6802213 0.68 CYP2D6 (0.38) CYP2D6MEN1RECQLKMT2ACYP19A1
SCHEMBL4589465 0.68 CYP2D6 (0.38) CYP2D6MEN1RECQLKMT2ACTSD
SCHEMBL3377490 0.67 MAPT (0.41) CYP2D6MEN1RECQLKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US claimed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP claimed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US claimed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO claimed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 CYP2D6 4725/4885MEN1 1570/4885RECQL 1021/4885

“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.