SCHEMBL7915879

SCHEMBL7915879

COc1ccc(N2CCC(F)(F)CC2)cc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
WHR1 P49842 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
SIRT6 Q8N6T7 1/20 0.36
PDE7A Q13946 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7920291 0.83 HTR7 (0.38) HTR7KDM4EALDH1A1LMNAWHR1
SCHEMBL7921901 0.82 ALDH1A1 (0.50) HTR7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8257381 0.80 ADRB1 (0.51) HTR7CYP2C19SUV39H2
SCHEMBL195141 0.80 NR1H2 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL7918914 0.78 CHRNA7 (0.34) SUV39H2TSHR
SCHEMBL27823987 0.77 DRD2 (0.45) KDM4EALDH1A1LMNAWHR1HIF1A
SCHEMBL520796 0.75 GAK (0.50) KDM4EALDH1A1LMNAWHR1MEN1
SCHEMBL16055132 0.73 HIF1A (0.48) KDM4EALDH1A1LMNAWHR1HIF1A
SCHEMBL721997 0.72 ALOX15 (0.41) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL520963 0.71 LMNA (0.75) ALDH1A1LMNAMEN1KMT2AMAPT

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 HTR7 3856/4885KDM4E 3198/4885ALDH1A1 3158/4885

“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.