SCHEMBL4882908

SCHEMBL4882908

CN(CCO)c1nc(Cl)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
SLC9A5 Q14940 8/20 0.39
TDP1 Q9NUW8 2/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL2073562 0.72 HDAC4 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13822470 0.72 TUBB4A (0.38) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL2530718 0.71 SLC9A5 (0.47) SLC9A5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL398966 0.69 GABRP (0.66) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL29524409 0.69 GABRP (0.66) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL30437331 0.68 TDP1 (0.66) ALDH1A1PRKAG1PRKAA1PRKAB1TDP1
SCHEMBL6742273 0.68 TDP1 (0.66) ALDH1A1PRKAG1PRKAA1PRKAB1TDP1
SCHEMBL524642 0.68 GABRP (0.69) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL56617 0.68 SMN1; SMN2 (0.50) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL29378242 0.68 SMN1; SMN2 (0.50) ALDH1A1TDP1GABRPGABRDGABRA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
CN-101052625-A As P2X7Adamantyl derivatives of receptor antagonists ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 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-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 ALDH1A1 744/4885PRKAB2 2513/4885PRKAG1 2166/4885

“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.