SCHEMBL4130035

SCHEMBL4130035

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

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.77

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
SCHEMBL7082057 0.95 P2RX7 (0.70) P2RX7
SCHEMBL31374479 0.87 P2RX7 (0.73) P2RX7
SCHEMBL7571588 0.87 P2RX7 (1.00) P2RX7
SCHEMBL6574267 0.86 P2RX7 (1.00) P2RX7
SCHEMBL14272605 0.85 P2RX7 (0.56) P2RX7
SCHEMBL7571579 0.85 P2RX7 (0.77) P2RX7
SCHEMBL4129828 0.85 P2RX7 (0.77) P2RX7
SCHEMBL6573881 0.85 P2RX7 (1.00) P2RX7
SCHEMBL4876478 0.85 P2RX7 (0.68) P2RX7
SCHEMBL4095273 0.84 P2RX7 (0.56) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081928-A1 reacting 2-chloro-5-iodo-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide with allyl alcohol in the presence of a palladium catalyst and a tertiary amine base, to form 2-chloro-5-(3-oxopropyl)-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; chemical intermediates for drugs ASTRAZENECA AB (SE) 2008-04-03 US claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US claimed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US claimed
US-6201024-B1 EFFECTIVE P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISORDERS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US claimed
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US disclosed
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 US disclosed
US-20080081928-A1 reacting 2-chloro-5-iodo-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide with allyl alcohol in the presence of a palladium catalyst and a tertiary amine base, to form 2-chloro-5-(3-oxopropyl)-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; chemical intermediates for drugs ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081928-A1 reacting 2-chloro-5-iodo-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide with allyl alcohol in the presence of a palladium catalyst and a tertiary amine base, to form 2-chloro-5-(3-oxopropyl)-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; chemical intermediates for drugs ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081928-A1 reacting 2-chloro-5-iodo-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide with allyl alcohol in the presence of a palladium catalyst and a tertiary amine base, to form 2-chloro-5-(3-oxopropyl)-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; chemical intermediates for drugs ASTRAZENECA AB (SE) 2008-04-03 US disclosed
EP-1862451-A1 Adamantane derivatives for the treatment of inflammatory diseases AstraZeneca AB (SE) 2007-12-05 EP disclosed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US disclosed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US disclosed
US-6201024-B1 EFFECTIVE P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISORDERS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
EP-1036059-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 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 (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-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D P2RX7 1500/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 P2RX7 1692/4885
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 P2RX7 4/4885
US-20010003121-A1 Novel compounds APP, BACE1, CHRNA5 P2RX7 311/4885
US-20080081928-A1 reacting 2-chloro-5-iodo-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide with allyl alcohol in the presence of a palladium catalyst and a tertiary amine base, to form 2-chloro-5-(3-oxopropyl)-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; chemical intermediates for drugs ADH1A, ADH1C, ADH5 P2RX7 3042/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 P2RX7 1692/4885

“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.