SCHEMBL1361528

SCHEMBL1361528

O=C([C@H](Cc1ccccc1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C\c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
FAAH O00519 1/20 0.40
NPY2R P49146 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR183 P32249 2/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL1362750 1.00 SIGMAR1 (0.42) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL1361529 1.00 SIGMAR1 (0.42) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL1362752 1.00 SIGMAR1 (0.42) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL1362038 0.99 SIGMAR1 (0.41) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL1362035 0.99 SIGMAR1 (0.41) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL12139090 0.99 SIGMAR1 (0.41) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL12139404 0.97 SIGMAR1 (0.40) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL12139083 0.97 MEN1 (0.45) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL1362581 0.97 MEN1 (0.45) SIGMAR1FAAHNPY2RMEN1KMT2A
SCHEMBL12139418 0.96 GPR183 (0.43) SIGMAR1FAAHNPY2RMEN1KMT2A

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
EP-1940814-B1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-22 EP claimed
US-8067419-B2 N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-29 US claimed
US-20080234272-A1 Novel Piperazines as Antimalarial Agents ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-25 US claimed
EP-1940814-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2008-07-09 EP claimed
WO-2007046075-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2007-04-26 WO claimed
EP-1940814-B1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-22 EP disclosed
US-8067419-B2 N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-29 US disclosed
US-20080234272-A1 Novel Piperazines as Antimalarial Agents ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-25 US 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-20080234272-A1 Novel Piperazines as Antimalarial Agents ITPA, PAK5, THPO SIGMAR1 1408/4885FAAH 3506/4885NPY2R 4459/4885

“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.