SCHEMBL194438

SCHEMBL194438

N#CC(CCCl)c1ccccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.36
CNR2 P34972 2/20 0.35
P2RX7 Q99572 1/20 0.35
SLC6A4 P31645 1/20 0.33
AR P10275 3/20 0.33
MC4R P32245 1/20 0.32
CUL4A Q13619 1/20 0.31
CCR1 P32246 2/20 0.31
IDO1 P14902 3/20 0.31
HSD11B1 P28845 1/20 0.31
TDO2 P48775 1/20 0.31
CACNA2D1 P54289 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNB1 Q02641 1/20 0.30
CACNA1C Q13936 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
SCHEMBL3695512 0.92 CCR1 (0.35) ACP3CNR2P2RX7SLC6A4AR
SCHEMBL909422 0.92 CCR1 (0.35) ACP3CNR2P2RX7SLC6A4AR
SCHEMBL720614 0.84 ACP3 (0.39) ACP3CNR2P2RX7SLC6A4AR
SCHEMBL28776287 0.84 CTSK (0.37) ACP3CNR2P2RX7SLC6A4AR
SCHEMBL15103290 0.80 AR (0.35) AR
SCHEMBL7909506 0.80 CYP1A2 (0.37) ACP3CNR2P2RX7SLC6A4AR
SCHEMBL7906628 0.80 ACP3 (0.36) ACP3CNR2SLC6A4ARMC4R
SCHEMBL21631985 0.80 CNR2 (0.45) ACP3CNR2CACNA2D1CACNA1BCACNB1
SCHEMBL3692370 0.80 ACP3 (0.36) ACP3CNR2SLC6A4ARMC4R
SCHEMBL1096034 0.80 ACP3 (0.41) ACP3CNR2P2RX7SLC6A4AR

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-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-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP 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
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 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 (3 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-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS CYP4A11, CYP51A1, NISCH ACP3 2364/4885CNR2 417/4885P2RX7 492/4885
US-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 ACP3 3500/4885CNR2 232/4885P2RX7 1890/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ACP3 4278/4885CNR2 2884/4885P2RX7 3222/4885

“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.