SCHEMBL4498495

SCHEMBL4498495

Cc1ccc2nc(NCCO)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.67
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX3 P56373 1/20 0.42

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
SCHEMBL13958649 0.94 P2RX7 (0.71) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL4510035 0.94 P2RX7 (0.73) P2RX7LMNASMN1; SMN2P2RX3
Hydrochloric Acid SCHEMBL4497414 0.94 P2RX7 (0.72) P2RX7LMNASMN1; SMN2P2RX3
Hydrochloric Acid SCHEMBL4507061 0.94 P2RX7 (0.72) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL13958685 0.93 P2RX7 (0.71) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL6482351 0.90 P2RX7 (0.61) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL6484063 0.90 P2RX7 (0.62) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL4504565 0.90 P2RX7 (0.62) P2RX7LMNASMN1; SMN2P2RX3
Hydrochloric Acid SCHEMBL4509623 0.89 P2RX7 (0.59) P2RX7P2RX3
SCHEMBL6484060 0.88 P2RX7 (0.61) P2RX7LMNASMN1; SMN2P2RX3

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 10 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-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 554/4885LMNA 1205/4885SMN1; SMN2 718/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885LMNA 1999/4885SMN1; SMN2 626/4885

“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.