SCHEMBL1362581

SCHEMBL1362581

O=C([C@H](Cc1ccc(Cl)cc1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)C=Cc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GPR183 P32249 4/20 0.41
STAT3 P40763 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
LSS P48449 1/20 0.39
NPY2R P49146 1/20 0.38
FAAH O00519 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL12139083 1.00 MEN1 (0.45) MEN1KMT2AGPR183STAT3SIGMAR1
SCHEMBL1362752 0.97 SIGMAR1 (0.42) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL1362750 0.97 SIGMAR1 (0.42) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL1361529 0.97 SIGMAR1 (0.42) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL1361528 0.97 SIGMAR1 (0.42) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL1362035 0.96 SIGMAR1 (0.41) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL1362038 0.96 SIGMAR1 (0.41) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL12139090 0.96 SIGMAR1 (0.41) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL12139404 0.94 SIGMAR1 (0.40) MEN1KMT2AGPR183SIGMAR1HTR2A
SCHEMBL1362747 0.94 GPR183 (0.42) MEN1KMT2AGPR183SIGMAR1HTR2A

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 MEN1 3683/4885KMT2A 1152/4885GPR183 1314/4885

“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.