SCHEMBL4135736

SCHEMBL4135736

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(COCCNCCO)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.68

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
SCHEMBL4141758 0.94 P2RX7 (0.78) P2RX7
SCHEMBL4128835 0.91 P2RX7 (0.67) P2RX7
SCHEMBL5816197 0.88 P2RX7 (0.54) P2RX7
SCHEMBL14347560 0.88 P2RX7 (0.54) P2RX7
SCHEMBL4141588 0.86 P2RX7 (0.66) P2RX7
SCHEMBL4138832 0.86 P2RX7 (0.73) P2RX7
SCHEMBL4121902 0.86 P2RX7 (0.73) P2RX7
SCHEMBL4122056 0.85 P2RX7 (0.92) P2RX7
Hydrochloric Acid SCHEMBL4140875 0.85 P2RX7 (0.74) P2RX7
SCHEMBL5080700 0.85 P2RX7 (0.63) 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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US claimed
US-20080207577-A1 Mixture of a P2X7 (purinergic) receptor antagonist, and a corticosteroid; 1-adamantylalkylamide derivatives with benzyl or pyridyl group; respiratory system disorders, chronic obstructive pulmonary disease; antiasthmatics; formoterol, budesonide; kits ASTRAZENECA AB (SE) 2008-08-28 US claimed
US-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 US claimed
US-20070281931-A1 Pharmaceutical Composition Containing a P2x7 Receptor Antagonist and Methotrexate ASTRAZENECA AB (SE) 2007-12-06 US claimed
EP-1862451-A1 Adamantane derivatives for the treatment of inflammatory diseases AstraZeneca AB (SE) 2007-12-05 EP claimed
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug ASTRAZENECA AB (SE) 2007-04-12 US claimed
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha ASTRAZENECA AB (SE) 2007-02-08 US claimed
JP-2007501270-A 2007-01-25 JP claimed
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine ASTRAZENECA AB (SE) 2007-01-11 US claimed
US-20060247257-A1 Combination ASTRAZENECA AB (SE) 2006-11-02 US claimed
EP-1633401-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR ALPHA AstraZeneca AB (SE) 2006-03-15 EP claimed
US-6881754-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2005-04-19 US claimed
WO-2004105798-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR α ASTRAZENECA AB (SE) 2004-12-09 WO claimed
EP-1242364-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-17 EP claimed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP claimed
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
EP-3402469-B1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INST NAT SANTE RECH MED (FR) 2021-01-06 EP disclosed
US-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) INSERM (Institut National de la Santé et de la Recherche Médicale (FR) 2020-02-04 US disclosed
EP-1242364-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044170-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-21 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 (10 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-20070281931-A1 Pharmaceutical Composition Containing a P2x7 Receptor Antagonist and Methotrexate P2RX7, P2RY1, P2RX5 P2RX7 1/4885
US-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D P2RX7 1500/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 P2RX7 1692/4885
US-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) P2RX7, P2RX1, P2RX5 P2RX7 1/4885
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine P2RX7, P2RX5, P2RX2 P2RX7 1/4885
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug P2RX7, P2RX3, P2RX5 P2RX7 1/4885
US-20060247257-A1 Combination P2RX7, PCSK9, P2RX1 P2RX7 1/4885
US-20080207577-A1 Mixture of a P2X7 (purinergic) receptor antagonist, and a corticosteroid; 1-adamantylalkylamide derivatives with benzyl or pyridyl group; respiratory system disorders, chronic obstructive pulmonary disease; antiasthmatics; formoterol, budesonide; kits P2RY1, P2RX3, P2RX7 P2RX7 3/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 P2RX7 1692/4885
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha P2RX7, P2RX1, P2RX5 P2RX7 1/4885

“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.