SCHEMBL4884041

SCHEMBL4884041

Cc1ccc(-c2cccnc2N2CCC(C(=O)O)CC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.57
ELANE P08246 2/20 0.43
AVPR1A P37288 1/20 0.43
ABCB11 O95342 1/20 0.41
DYRK1A Q13627 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5221250 0.91 P2RX7 (0.56) P2RX7ELANEAVPR1ADYRK1AKMT2A
SCHEMBL4881090 0.90 P2RX7 (0.70) P2RX7
SCHEMBL4880597 0.82 P2RX7 (0.59) P2RX7AVPR1A
SCHEMBL5111601 0.82 P2RX7 (0.81) P2RX7ELANEDYRK1AMALT1
SCHEMBL4881926 0.82 P2RX7 (0.55) P2RX7AVPR1AABCB11MEN1ALDH1A1
SCHEMBL4881893 0.81 P2RX7 (0.60) P2RX7DYRK1A
SCHEMBL4883360 0.79 P2RX7 (0.57) P2RX7
SCHEMBL4890962 0.78 P2RX7 (0.54) P2RX7
SCHEMBL4883520 0.77 P2RX7 (0.53) P2RX7
SCHEMBL4883609 0.77 P2RX7 (0.59) P2RX7AVPR1AABCB11MEN1ALDH1A1

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 4 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
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 4/4885ELANE 2029/4885AVPR1A 105/4885

“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.