SCHEMBL4129968

SCHEMBL4129968

CC(CO)NCCCc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.81
P2RX7 Q99572 18/20 0.73

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
SCHEMBL4129964 1.00 ABCB11 (0.81) ABCB11P2RX7
SCHEMBL4135561 0.93 P2RX7 (0.70) ABCB11P2RX7
SCHEMBL4126448 0.91 P2RX7 (0.74) ABCB11P2RX7
SCHEMBL4134364 0.91 P2RX7 (0.70) ABCB11P2RX7
SCHEMBL4134161 0.90 P2RX7 (0.67) ABCB11P2RX7
SCHEMBL4139163 0.90 P2RX7 (0.67) ABCB11P2RX7
SCHEMBL5145834 0.89 P2RX7 (0.68) ABCB11P2RX7
SCHEMBL6052984 0.88 ABCB11 (0.64) ABCB11P2RX7
SCHEMBL4134714 0.88 P2RX7 (0.69) ABCB11P2RX7
SCHEMBL4129284 0.88 P2RX7 (0.69) ABCB11P2RX7

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 39 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
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine ASTRAZENECA AB (SE) 2007-01-11 US claimed
US-7132457-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2006-11-07 US claimed
US-20060247257-A1 Combination ASTRAZENECA AB (SE) 2006-11-02 US claimed
US-6881754-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2005-04-19 US claimed
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA AB 2005-03-03 US claimed
EP-1242364-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-17 EP claimed
EP-1352895-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 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-20130195919-A1 INDUCED DENDRITIC CELL COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-01 US disclosed
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US disclosed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP 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 (9 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 ABCB11 184/4885P2RX7 1/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 ABCB11 558/4885P2RX7 1692/4885
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease HRH1, HRH2, HRH4 ABCB11 2799/4885P2RX7 1020/4885
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine P2RX7, P2RX5, P2RX2 ABCB11 267/4885P2RX7 1/4885
US-20070082930-A1 Pharmaceutical composition comprising a p2x7 receptor antagonist and a nonsteroidal anti-inflammatory drug P2RX7, P2RX3, P2RX5 ABCB11 159/4885P2RX7 1/4885
US-20060247257-A1 Combination P2RX7, PCSK9, P2RX1 ABCB11 317/4885P2RX7 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 ABCB11 342/4885P2RX7 3/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 ABCB11 558/4885P2RX7 1692/4885
US-20070032465-A1 Pharmaceutical composition comprising a p2x7-receptor antagonist and a tumour necrosis factor alpha P2RX7, P2RX1, P2RX5 ABCB11 345/4885P2RX7 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.