SCHEMBL4876478

SCHEMBL4876478

Cc1ccc(I)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.68
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
AVPR1A P37288 1/20 0.57
ABCB11 O95342 1/20 0.57
EPHX2 P34913 1/20 0.52

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
SCHEMBL7572049 0.87 P2RX7 (0.71) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL4130035 0.85 P2RX7 (0.77) P2RX7
SCHEMBL7568709 0.81 P2RX7 (1.00) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL7082057 0.81 P2RX7 (0.70) P2RX7
SCHEMBL4880000 0.78 P2RX7 (0.59) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL19321961 0.77 P2RX7 (0.63) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL4877202 0.77 P2RX7 (0.67) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL7568670 0.76 P2RX7 (0.71) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL7665408 0.76 P2RX7 (0.78) P2RX7MEN1ALDH1A1KMT2AAVPR1A
SCHEMBL5710562 0.75 P2RX7 (0.57) P2RX7MEN1ALDH1A1KMT2A

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-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 4/4885MEN1 1244/4885ALDH1A1 744/4885

“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.