SCHEMBL4509232

SCHEMBL4509232

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.79
SMN1; SMN2 Q16637 2/20 0.69
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
P2RX3 P56373 1/20 0.58

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
SCHEMBL5923481 0.88 P2RX7 (1.00) P2RX7SMN1; SMN2
SCHEMBL15914279 0.81 SMN1; SMN2 (1.00) P2RX7SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL1199009 0.81 P2RX7 (1.00) P2RX7P2RX3
SCHEMBL4512928 0.81 P2RX7 (0.60) P2RX7SMN1; SMN2
SCHEMBL6618315 0.81 P2RX7 (0.66) P2RX7P2RX3
SCHEMBL4505239 0.81 P2RX7 (0.63) P2RX7P2RX3
SCHEMBL4501549 0.81 P2RX7 (0.59) P2RX7SMN1; SMN2ALDH1A1LMNA
SCHEMBL5923993 0.80 P2RX7 (0.80) P2RX7SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL14583955 0.79 P2RX7 (0.61) P2RX7SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4508579 0.78 MEN1 (0.61) P2RX7P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US claimed
US-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. ASTRAZENECA AB (SE) 2007-02-15 US claimed
JP-2007501782-A 2007-02-01 JP claimed
EP-1654217-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. AstraZeneca AB (SE) 2006-05-10 EP claimed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US claimed
WO-2005014529-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. ASTRAZENECA AB (SE) 2005-02-17 WO claimed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP claimed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO claimed
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. ASTRAZENECA AB (SE) 2007-02-15 US disclosed
EP-1654217-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. AstraZeneca AB (SE) 2006-05-10 EP disclosed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US disclosed
WO-2005014529-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. ASTRAZENECA AB (SE) 2005-02-17 WO disclosed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 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 (3 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-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. P2RX2, P2RX3, P2RX7 P2RX7 3/4885SMN1; SMN2 3272/4885ALDH1A1 2254/4885
US-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D P2RX7 554/4885SMN1; SMN2 718/4885ALDH1A1 117/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885SMN1; SMN2 626/4885ALDH1A1 91/4885

“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.