SCHEMBL4510063

SCHEMBL4510063

Cc1ccc2nc(N3CCC(OS(C)(=O)=O)C3)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.51
P2RX3 P56373 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4510059 1.00 P2RX7 (0.51) P2RX7P2RX3LMNASMN1; SMN2GAA
SCHEMBL4507891 0.88 P2RX7 (0.56) P2RX7P2RX3LMNASMN1; SMN2GAA
SCHEMBL6529019 0.88 P2RX7 (0.56) P2RX7P2RX3LMNASMN1; SMN2GAA
SCHEMBL13958670 0.86 P2RX7 (0.55) P2RX7P2RX3LMNASMN1; SMN2GAA
SCHEMBL13958658 0.86 P2RX7 (0.55) P2RX7P2RX3LMNASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4500468 0.85 P2RX7 (0.54) P2RX7P2RX3LMNASMN1; SMN2GAA
SCHEMBL13958661 0.85 P2RX7 (0.54) P2RX7LMNASMN1; SMN2GAACYP2C19
Hydrochloric Acid SCHEMBL4507880 0.85 P2RX7 (0.54) P2RX7P2RX3LMNASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4509750 0.85 P2RX7 (0.54) P2RX7P2RX3LMNASMN1; SMN2GAA
SCHEMBL4507550 0.85 P2RX7 (0.54) P2RX7LMNASMN1; SMN2GAACYP2C19

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-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US 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 (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-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D P2RX7 554/4885P2RX3 427/4885LMNA 1205/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885P2RX3 595/4885LMNA 1999/4885

“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.