SCHEMBL6484063

SCHEMBL6484063

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.62
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
P2RX3 P56373 1/20 0.41

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
SCHEMBL4510035 0.92 P2RX7 (0.73) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL4504565 0.91 P2RX7 (0.62) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL4498495 0.90 P2RX7 (0.67) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL13958685 0.88 P2RX7 (0.71) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL6484060 0.88 P2RX7 (0.61) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL13958649 0.86 P2RX7 (0.71) P2RX7LMNASMN1; SMN2P2RX3
Hydrochloric Acid SCHEMBL4497414 0.85 P2RX7 (0.72) P2RX7LMNASMN1; SMN2P2RX3
Hydrochloric Acid SCHEMBL4507061 0.85 P2RX7 (0.72) P2RX7LMNASMN1; SMN2P2RX3
SCHEMBL4507850 0.85 P2RX7 (0.55) P2RX7P2RX3
SCHEMBL4507860 0.84 P2RX7 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US 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-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885EPHX2 1766/4885LMNA 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.