SCHEMBL195362

SCHEMBL195362

O=C(O)C(CCC(Cl)Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
ACP3 P15309 1/20 0.43
PPARG P37231 5/20 0.40
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
PPARA Q07869 3/20 0.39
PTGS2 P35354 2/20 0.39
EPHX2 P34913 1/20 0.38
POLQ O75417 1/20 0.38
HSD11B1 P28845 1/20 0.37
CTSA P10619 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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 0.84 CNR2 (0.45) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL719784 0.84 CNR2 (0.45) CNR2ACP3PPARGCACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL195363 0.82 CNR2 (0.44) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL12395027 0.81 CYP1A2 (0.46) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL1927969 0.80 CNR2 (0.49) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL195632 0.79 CNR2 (0.44) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL27985674 0.77 ACP3 (0.50) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL17079985 0.76 CYP2C19 (0.57) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL908987 0.73 CNR2 (0.41) CNR2ACP3CACNA1CHSD11B1POLB
SCHEMBL28821897 0.73 ACP3 (0.53) CNR2ACP3PPARGCACNA2D1CACNA1B

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
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
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 CNR2 2884/4885ACP3 4278/4885PPARG 4673/4885

“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.