SCHEMBL7085360

SCHEMBL7085360

CC(C)N(CCO)CCCc1ccc(Cl)c(C(=O)NCC23CCCC(CCC2)C3)c1.[CH2]

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.54
ABCB11 O95342 1/20 0.44

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
SCHEMBL7081935 0.89 P2RX7 (0.53) P2RX7ABCB11
SCHEMBL4142171 0.89 P2RX7 (0.68) P2RX7ABCB11
SCHEMBL7081566 0.87 P2RX7 (0.54) P2RX7ABCB11
SCHEMBL7077789 0.87 P2RX7 (0.56) P2RX7
SCHEMBL7077648 0.87 P2RX7 (0.66) P2RX7ABCB11
SCHEMBL7082051 0.87 P2RX7 (0.54) P2RX7ABCB11
SCHEMBL7083482 0.85 P2RX7 (0.53) P2RX7
SCHEMBL7077748 0.85 P2RX7 (0.54) P2RX7
SCHEMBL7082288 0.84 P2RX7 (0.52) P2RX7
SCHEMBL7083984 0.84 P2RX7 (0.52) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 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-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D P2RX7 1500/4885ABCB11 399/4885

“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.