SCHEMBL4884464

SCHEMBL4884464

O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc2nc(N3CCC[C@H](NCCc4nn[nH]n4)C3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 1.00
HSD11B1 P28845 1/20 0.38

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
SCHEMBL4894734 0.96 P2RX7 (0.92) P2RX7
SCHEMBL14113745 0.88 P2RX7 (0.78) P2RX7
SCHEMBL4894824 0.87 P2RX7 (1.00) P2RX7
SCHEMBL4893872 0.84 P2RX7 (0.83) P2RX7
SCHEMBL14113744 0.83 P2RX7 (0.71) P2RX7
SCHEMBL4895473 0.83 P2RX7 (0.71) P2RX7
SCHEMBL4895016 0.82 P2RX7 (0.91) P2RX7
SCHEMBL4895624 0.80 P2RX7 (1.00) P2RX7
SCHEMBL4884487 0.80 P2RX7 (0.81) P2RX7
SCHEMBL4896756 0.80 P2RX7 (0.75) 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-20080182874-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-07-31 US claimed
US-20080182874-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-07-31 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-20080182874-A1 Novel Compounds REN, F12, GPR119 P2RX7 1672/4885HSD11B1 641/4885

“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.