SCHEMBL2582884

SCHEMBL2582884

O=C(NCc1ccc(Cl)cc1Cl)C1CCC(=O)N1Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 1.00
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HTT P42858 1/20 0.59

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
SCHEMBL2582887 1.00 P2RX7 (1.00) P2RX7CYP3A4CYP2C9CYP2C19HTT
SCHEMBL2795372 0.84 P2RX7 (1.00) P2RX7
SCHEMBL2577873 0.80 P2RX7 (1.00) P2RX7CYP3A4CYP2C9CYP2C19
SCHEMBL2577870 0.80 P2RX7 (1.00) P2RX7CYP3A4CYP2C9CYP2C19
SCHEMBL2581997 0.80 P2RX7 (1.00) P2RX7
SCHEMBL2579545 0.80 P2RX7 (1.00) P2RX7
SCHEMBL2579546 0.80 P2RX7 (1.00) P2RX7
SCHEMBL2579574 0.80 P2RX7 (1.00) P2RX7
SCHEMBL2579576 0.80 P2RX7 (1.00) P2RX7
SCHEMBL2582027 0.76 P2RX7 (1.00) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP claimed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US claimed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US claimed
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 US disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 US disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885CYP3A4 1517/4885CYP2C9 802/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885CYP3A4 1517/4885CYP2C9 802/4885

“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.