SCHEMBL4725538

SCHEMBL4725538

CC(C)C[C@H]1CNCCN1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.33
LTA4H P09960 1/20 0.33
PARP1 P09874 1/20 0.32
CXCR4 P61073 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL10219095 1.00 PLG (0.33) PLGLTA4HPARP1CXCR4PRCP
SCHEMBL4725540 1.00 PLG (0.33) PLGLTA4HPARP1CXCR4PRCP
Hydrochloric Acid SCHEMBL3859764 0.98 PLG (0.33) PLGLTA4HPARP1CXCR4
SCHEMBL8203610 0.98 CXCR4 (0.33) PLGLTA4HPARP1CXCR4
SCHEMBL9831374 0.87 CXCR4 (0.39) PLGCXCR4
SCHEMBL26819750 0.83 CXCR4 (0.32) CXCR4
SCHEMBL27755487 0.83 PLG (0.32) PLGLTA4H
SCHEMBL14156651 0.83 LTA4H (0.31) LTA4HPARP1
SCHEMBL4835743 0.83 LTA4H (0.31) LTA4HPARP1
SCHEMBL4835738 0.83 LTA4H (0.31) LTA4HPARP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
US-11827920-B2 Nanostructure, a biosensor including the nanostructure, and a screening method POSTECH Research and Business Development Foundation (KR) 2023-11-28 US disclosed
WO-2021226559-A1 RADIO-AND CHEMO-PROTECTIVE COMPOUNDS Tonix Pharmaceuticals, Inc. (US) 2021-11-11 WO disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US disclosed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US disclosed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed
EP-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
EP-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
CN-1309720-C Piperazine compounds KOWA CO (JP) 2007-04-11 CN disclosed
CN-1520408-A Piperazine compounds ������������ʽ���� 2004-08-11 CN disclosed
EP-1400521-A1 PIPERAZINE COMPOUNDS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 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 (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-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PLG 1865/4885LTA4H 2736/4885PARP1 700/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 PLG 2986/4885LTA4H 1096/4885PARP1 1412/4885

“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.