SCHEMBL5077430

SCHEMBL5077430

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 1.00
AVPR1A P37288 1/20 0.53

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
SCHEMBL7556141 0.92 P2RX7 (0.85) P2RX7
SCHEMBL5437414 0.88 P2RX7 (0.79) P2RX7
SCHEMBL7654219 0.88 P2RX7 (0.78) P2RX7
SCHEMBL7654216 0.88 P2RX7 (0.78) P2RX7
SCHEMBL7556686 0.88 P2RX7 (0.78) P2RX7AVPR1A
SCHEMBL7559323 0.84 P2RX7 (0.73) P2RX7AVPR1A
SCHEMBL5774381 0.82 P2RX7 (0.69) P2RX7
SCHEMBL4885873 0.82 P2RX7 (1.00) P2RX7
SCHEMBL7659100 0.81 P2RX7 (0.72) P2RX7AVPR1A
SCHEMBL7666558 0.81 P2RX7 (0.88) 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070281931-A1 Pharmaceutical Composition Containing a P2x7 Receptor Antagonist and Methotrexate ASTRAZENECA AB (SE) 2007-12-06 US 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
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
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US claimed
US-20130195919-A1 INDUCED DENDRITIC CELL COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-01 US disclosed
WO-2013036298-A1 ALLERGEN-SPECIFIC INDUCED TOLEROGENIC DENDRITIC CELLS FOR ALLEGY THERAPY SELECTA BIOSCIENCES, INC. (US) 2013-03-14 WO disclosed
WO-2013036303-A2 INDUCED TOLEROGENIC DENDRITIC CELLS TO REDUCE SYSTEMIC INFLAMMATORY CYTOKINES SELECTA BIOSCIENCES, INC. (US) 2013-03-14 WO disclosed
WO-2013036297-A1 THERAPEUTIC PROTEIN-SPECIFIC INDUCED TOLEROGENIC DENDRITIC CELLS AND METHODS OF USE SELECTA BIOSCIENCES, INC. (US) 2013-03-14 WO disclosed
WO-2013036294-A1 ANTIGEN-SPECIFIC INDUCED TOLEROGENIC DENDRITIC CELLS TO REDUCE CYTOTOXIC T LYMPHOCYTE RESPONSES SELECTA BIOSCIENCES, INC. (US) 2013-03-14 WO disclosed
WO-2013036293-A1 DENDRITIC CELL SUBSETS FOR GENERATING INDUCED TOLEROGENIC DENDRITIC CELLS AND RELATED COMPOSITIONS AND METHODS SELECTA BIOSCIENCES, INC. (US) 2013-03-14 WO disclosed
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 disclosed
US-20070281931-A1 Pharmaceutical Composition Containing a P2x7 Receptor Antagonist and Methotrexate ASTRAZENECA AB (SE) 2007-12-06 US disclosed
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20060247257-A1 Combination ASTRAZENECA AB (SE) 2006-11-02 US disclosed
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 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 (6 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 1/4885AVPR1A 1914/4885
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine P2RX7, P2RX5, P2RX2 P2RX7 1/4885AVPR1A 2989/4885
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug P2RX7, P2RX3, P2RX5 P2RX7 1/4885AVPR1A 1626/4885
US-20060247257-A1 Combination P2RX7, PCSK9, P2RX1 P2RX7 1/4885AVPR1A 1340/4885
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 3/4885AVPR1A 943/4885
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha P2RX7, P2RX1, P2RX5 P2RX7 1/4885AVPR1A 1586/4885

“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.