SCHEMBL4501549

SCHEMBL4501549

Cc1ccc2ncccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.59
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4512928 0.88 P2RX7 (0.60) P2RX7MEN1USP2KMT2ASMN1; SMN2
SCHEMBL13972323 0.87 P2RX7 (0.46) P2RX7MEN1USP2KMT2ASMN1; SMN2
SCHEMBL4492302 0.81 P2RX7 (0.67) P2RX7SMN1; SMN2LMNA
SCHEMBL4509232 0.81 P2RX7 (0.79) P2RX7SMN1; SMN2ALDH1A1LMNA
SCHEMBL26639952 0.79 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4500870 0.79 P2RX7 (0.61) P2RX7SMN1; SMN2LMNA
SCHEMBL4498495 0.77 P2RX7 (0.67) P2RX7SMN1; SMN2LMNA
SCHEMBL4510035 0.76 P2RX7 (0.73) P2RX7SMN1; SMN2LMNA
SCHEMBL4507223 0.76 P2RX7 (0.58) P2RX7SMN1; SMN2LMNA
SCHEMBL13971712 0.75 P2RX7 (0.47) P2RX7MEN1USP2KMT2ASMN1; SMN2

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 9 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-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US 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-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 554/4885MEN1 472/4885USP2 3668/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885MEN1 669/4885USP2 3273/4885

“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.