SCHEMBL1362747

SCHEMBL1362747

CC(C)c1ccc(CN2CCN(C(=O)[C@H](Cc3ccccc3)N(Cc3ccc(-c4ccccn4)cc3)C(=O)C=Cc3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.42
NPY2R P49146 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
FAAH O00519 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MGLL Q99685 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL1362746 1.00 GPR183 (0.42) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL1361528 0.95 SIGMAR1 (0.42) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL1361529 0.95 SIGMAR1 (0.42) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL1362750 0.95 SIGMAR1 (0.42) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL1362752 0.95 SIGMAR1 (0.42) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL1362581 0.94 MEN1 (0.45) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL12139083 0.94 MEN1 (0.45) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL1362038 0.94 SIGMAR1 (0.41) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL12139090 0.94 SIGMAR1 (0.41) GPR183NPY2RSIGMAR1MEN1KMT2A
SCHEMBL1362035 0.94 SIGMAR1 (0.41) GPR183NPY2RSIGMAR1MEN1KMT2A

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 10 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
EP-1940814-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2008-07-09 EP disclosed
WO-2007046075-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2007-04-26 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-20080234272-A1 Novel Piperazines as Antimalarial Agents ITPA, PAK5, THPO GPR183 1314/4885NPY2R 4459/4885SIGMAR1 1408/4885

“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.