SCHEMBL5076144

SCHEMBL5076144

C[C@H](O)CNCCCc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)cn1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.63
ABCB11 O95342 1/20 0.45

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
SCHEMBL6449078 1.00 P2RX7 (0.63) P2RX7ABCB11
SCHEMBL5710576 1.00 P2RX7 (0.63) P2RX7ABCB11
Hydrochloric Acid SCHEMBL5710666 0.99 P2RX7 (0.62) P2RX7ABCB11
Hydrochloric Acid SCHEMBL5710696 0.99 P2RX7 (0.62) P2RX7ABCB11
SCHEMBL6365036 0.90 P2RX7 (0.62) P2RX7ABCB11
SCHEMBL5710408 0.90 P2RX7 (0.62) P2RX7ABCB11
SCHEMBL5710533 0.90 P2RX7 (0.62) P2RX7ABCB11
SCHEMBL5433736 0.90 P2RX7 (0.51) P2RX7ABCB11
SCHEMBL5138454 0.90 P2RX7 (0.51) P2RX7ABCB11
SCHEMBL5077420 0.90 P2RX7 (0.66) 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 58 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
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
EP-1448195-B1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION ASTRAZENECA AB (SE) 2006-11-02 EP claimed
US-20060247257-A1 Combination ASTRAZENECA AB (SE) 2006-11-02 US claimed
US-7129246-B2 N-adamantlmethyl derivatives and intermediates as pharmaceutical compositions and processes for their preparation ASTRAZENECA AB (SE) 2006-10-31 US claimed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP 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
EP-1596847-A1 NEW COMBINATION AstraZeneca AB (SE) 2005-11-23 EP claimed
US-20050010052-A1 N-adamantlmethyl derivatives and intermediates as pharmaceutical compositions and processes for their preparation ASTRAZENECA AB (SE) 2005-01-13 US claimed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO 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
WO-2004073704-A1 NEW COMBINATION ASTRAZENECA AB (SE) 2004-09-02 WO claimed
EP-1448195-A1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION AstraZeneca AB (SE) 2004-08-25 EP claimed
WO-2003041707-A1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION ASTRAZENECA AB (SE) 2003-05-22 WO 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
WO-2003041707-A1 N-ADAMANTYLMETHYL DERIVATES AND INTERMEDIATES AS PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION ASTRAZENECA AB (SE) 2003-05-22 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 (7 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 1/4885ABCB11 184/4885
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 267/4885
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug P2RX7, P2RX3, P2RX5 P2RX7 1/4885ABCB11 159/4885
US-20060247257-A1 Combination P2RX7, PCSK9, P2RX1 P2RX7 1/4885ABCB11 317/4885
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 3/4885ABCB11 342/4885
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha P2RX7, P2RX1, P2RX5 P2RX7 1/4885ABCB11 345/4885
US-20050010052-A1 N-adamantlmethyl derivatives and intermediates as pharmaceutical compositions and processes for their preparation ADRA1A, ADRA1D, ADORA1 P2RX7 1517/4885ABCB11 488/4885

“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.