SCHEMBL195632

SCHEMBL195632

N#CCCC(C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
ACP3 P15309 1/20 0.41
PPARG P37231 4/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.36
POLQ O75417 2/20 0.36
MLYCD O95822 1/20 0.36
PPARA Q07869 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL195194 0.88 AAK1 (0.38) CNR2ACP3PPARGSMN1; SMN2HTT
SCHEMBL195325 0.82 AAK1 (0.39) CNR2ACP3SMN1; SMN2ALDH1A1GAA
SCHEMBL195362 0.79 CNR2 (0.46) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL3696793 0.78 CNR2 (0.45) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL12395027 0.78 CYP1A2 (0.46) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL719784 0.78 CNR2 (0.45) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL1927969 0.77 CNR2 (0.49) CNR2ACP3PPARGCACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL195363 0.77 CNR2 (0.44) CNR2ACP3PPARGCACNA2D1CACNA1B
SCHEMBL195681 0.77 ACP3 (0.37) CNR2ACP3CACNA2D1CACNA1BCACNB1
SCHEMBL27415341 0.75 CYP2C9 (0.43) ACP3SMN1; SMN2ALDH1A1GAAHTT

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.