SCHEMBL1362022

SCHEMBL1362022

[O]CC(=O)N1CCCC1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.64
▸ MVD P53602 2/20 0.53
▸ REN P00797 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PEPD P12955 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ RAB9A P51151 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
SCHEMBL1923810 0.86 ACE (0.62) ACEMVDRENLMNAHSD17B10
SCHEMBL6782701 0.86 ACE (0.72) ACEMVDREN
SCHEMBL6782705 0.86 ACE (0.72) ACEMVDREN
SCHEMBL19037813 0.84 ACE (0.64) ACEMVDRENLMNAHSD17B10
SCHEMBL1537428 0.84 ACE (0.64) ACEMVDRENLMNAHSD17B10
SCHEMBL5633664 0.84 ACE (0.64) ACEMVDRENLMNAHSD17B10
SCHEMBL7299197 0.82 ACE (0.68) ACEMVDRENACE2
Glycyl Proline SCHEMBL155067 0.82 ACE (0.62) ACEMVDRENLMNAHSD17B10
Miridesap SCHEMBL1537496 0.82 ACE (0.68) ACEMVDREN
SCHEMBL20839701 0.82 ACE (0.62) ACEMVDRENLMNAHSD17B10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
CN-102858371-B The specific antigen-binding proteins to SAP 葛兰素集团有限公司 2017-03-01 — — CN disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 — — EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 — — WO 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 (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-20080234272-A1 Novel Piperazines as Antimalarial Agents ITPA, PAK5, THPO ACE 592/4885MVD 2159/4885REN 2243/4885
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ACE 80/4885MVD 456/4885REN 610/4885

“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.

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