SCHEMBL7921901

SCHEMBL7921901

COc1ccc(N2CCCCC2)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.48
SUV39H2 Q9H5I1 4/20 0.47
HIF1A Q16665 3/20 0.47
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
SLC16A3 O15427 1/20 0.44

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
SCHEMBL8257381 0.85 ADRB1 (0.51) SUV39H2HTR7
SCHEMBL7915879 0.82 HTR7 (0.40) ALDH1A1KDM4EMAPTALOX15HTT
SCHEMBL4982244 0.81 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL7916967 0.81 SLC16A3 (0.50) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL28860292 0.80 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL1599685 0.79 ALDH1A1 (0.54) ALDH1A1TDP1MAPTL3MBTL1MAPK1
SCHEMBL7303075 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL1600196 0.77 ALDH1A1 (0.55) ALDH1A1TDP1MAPTL3MBTL1MAPK1
SCHEMBL13849368 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL17241036 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1MAPTL3MBTL1

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-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ALDH1A1 3158/4885KDM4E 3198/4885TDP1 924/4885

“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.