SCHEMBL719784

SCHEMBL719784

O=C(O)C(CCCCl)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
ACP3 P15309 1/20 0.42
PPARG P37231 4/20 0.39
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
PPARA Q07869 2/20 0.38
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLQ O75417 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 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
SCHEMBL3696793 1.00 CNR2 (0.45) CNR2ACP3PPARGCACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL195363 0.99 CNR2 (0.44) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL195361 0.88 CNR2 (0.42) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL1850628 0.87 CNR2 (0.41) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL3695620 0.87 CNR2 (0.41) CNR2ACP3CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL3805598 0.86 CNR2 (0.40) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL12395027 0.85 CYP1A2 (0.46) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL13457707 0.85 CNR2 (0.39) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL195362 0.84 CNR2 (0.46) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL195868 0.82 POLQ (0.41) PPARGPPARAMEN1KMT2APOLQ

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 14 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-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
CN-102482276-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2012-05-30 CN disclosed
EP-2455380-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-23 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
CN-102137855-A Process for preparing certain cinnamide compounds EISAI R&D MAN CO LTD 2011-07-27 CN disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172427-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-14 US disclosed
EP-2324009-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2011-05-25 EP disclosed
WO-2010025197-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 WO disclosed
WO-2010025197-A1 PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 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 CNR2 417/4885ACP3 2364/4885PPARG 3157/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 CNR2 2884/4885ACP3 4278/4885PPARG 4673/4885
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, APP, BACE2 CNR2 2672/4885ACP3 2764/4885PPARG 3426/4885

“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.