SCHEMBL4094996

SCHEMBL4094996

O=CC(=CCCc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1)Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.63

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
SCHEMBL4094990 1.00 P2RX7 (0.63) P2RX7
SCHEMBL4094993 1.00 P2RX7 (0.63) P2RX7
SCHEMBL4129931 0.87 P2RX7 (0.71) P2RX7
SCHEMBL14199708 0.84 P2RX7 (0.67) P2RX7
SCHEMBL5336494 0.81 P2RX7 (0.78) P2RX7
SCHEMBL7555635 0.81 P2RX7 (0.72) P2RX7
SCHEMBL4129972 0.80 P2RX7 (0.74) P2RX7
SCHEMBL4129949 0.79 P2RX7 (0.69) P2RX7
SCHEMBL4129123 0.79 P2RX7 (0.86) P2RX7
SCHEMBL4129203 0.79 P2RX7 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059497-A1 PROCESS FOR PREPARING N-METHYLADAMANTYL DERIVATIVES BY A PALLADIUM CATALYSED COUPLING REACTION FOLLOWED BY REDUCTIVE AMINATION AstraZeneca AB (SE) 2009-05-20 EP 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
WO-2008030160-A1 PROCESS FOR PREPARING N-METHYLADAMANTYL DERIVATIVES BY A PALLADIUM CATALYSED COUPLING REACTION FOLLOWED BY REDUCTIVE AMINATION ASTRAZENECA AB (SE) 2008-03-13 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 (1 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-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

“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.