SCHEMBL4882840

SCHEMBL4882840

Cc1ccc(-c2cccc(C(=O)O)n2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.56
AVPR1A P37288 1/20 0.47
ABCB11 O95342 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4877005 0.88 P2RX7 (0.67) P2RX7
SCHEMBL4877202 0.82 P2RX7 (0.67) P2RX7AVPR1AABCB11MEN1ALDH1A1
SCHEMBL4884091 0.80 P2RX7 (0.60) P2RX7
SCHEMBL4884860 0.79 P2RX7 (0.64) P2RX7
SCHEMBL4883609 0.78 P2RX7 (0.59) P2RX7AVPR1AABCB11MEN1ALDH1A1
SCHEMBL4877307 0.78 P2RX7 (0.55) P2RX7
SCHEMBL4881926 0.78 P2RX7 (0.55) P2RX7AVPR1AABCB11MEN1ALDH1A1
SCHEMBL4880898 0.77 P2RX7 (0.64) P2RX7
SCHEMBL7572049 0.76 P2RX7 (0.71) P2RX7AVPR1AABCB11MEN1ALDH1A1
SCHEMBL4880122 0.74 P2RX7 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US claimed
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 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-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 P2RX7 4/4885AVPR1A 105/4885ABCB11 120/4885

“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.