SCHEMBL2226522

SCHEMBL2226522

COC(=O)C(Cc1ccccc1)NCc1ccc(N2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.64
POLB P06746 3/20 0.64
KDM4E B2RXH2 7/20 0.61
GAA P10253 7/20 0.60
MAPT P10636 7/20 0.60
ALOX15 P16050 5/20 0.60
ALOX12 P18054 5/20 0.60
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
ENPP2 Q13822 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2226515 1.00 GFER (0.64) GFERPOLBKDM4EGAAMAPT
SCHEMBL2375734 0.87 POLB (0.57) GFERPOLBKDM4EGAAMAPT
SCHEMBL2375727 0.87 POLB (0.57) GFERPOLBKDM4EGAAMAPT
SCHEMBL2375366 0.83 RORC (0.55) GFERPOLBKDM4EGAAMAPT
SCHEMBL2375359 0.83 RORC (0.55) GFERPOLBKDM4EGAAMAPT
SCHEMBL15809911 0.83 MAPK1 (0.55) GFERPOLBKDM4EGAAMAPT
SCHEMBL15809910 0.83 MAPK1 (0.55) GFERPOLBKDM4EGAAMAPT
SCHEMBL27870267 0.81 GAA (0.61) GFERPOLBKDM4EGAAMAPT
SCHEMBL3959739 0.81 ATM (0.68) POLBGAAALDH1A1LMNACYP2C9
SCHEMBL2375644 0.81 ATM (0.68) POLBGAAALDH1A1LMNACYP2C9

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-8889688-B2 Piperazines as antimalarial agents ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
EP-2521715-B1 PIPERAZINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-25 EP disclosed
US-20120316178-A1 PIPERAZINES AS ANTIMALARIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2012-12-13 US disclosed
EP-2521715-A1 PIPERAZINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2012-11-14 EP disclosed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
WO-2011083413-A1 PIPERAZINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2011-07-14 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 (2 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 GFER 2929/4885POLB 1882/4885KDM4E 1004/4885
US-20120316178-A1 PIPERAZINES AS ANTIMALARIAL AGENTS ITPA, PAK5, THPO GFER 4021/4885POLB 2403/4885KDM4E 1640/4885

“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.