SCHEMBL4134555

SCHEMBL4134555

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

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.74

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
SCHEMBL4129123 0.90 P2RX7 (0.86) P2RX7
SCHEMBL5336494 0.87 P2RX7 (0.78) P2RX7
SCHEMBL4129882 0.87 P2RX7 (0.78) P2RX7
SCHEMBL4129972 0.86 P2RX7 (0.74) P2RX7
SCHEMBL4139188 0.86 P2RX7 (0.70) P2RX7
SCHEMBL4129949 0.85 P2RX7 (0.69) P2RX7
SCHEMBL4122056 0.85 P2RX7 (0.92) P2RX7
Azd9056 SCHEMBL4126642 0.85 P2RX7 (1.00) P2RX7
SCHEMBL4124554 0.85 P2RX7 (0.75) P2RX7
Azd9056 SCHEMBL29364060 0.85 P2RX7 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US disclosed
US-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 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 (2 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-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 P2RX7 1692/4885
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.