SCHEMBL3837306

SCHEMBL3837306

Nc1c(Cl)ccc2nc(N3CCC(C(=O)O)CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ P2RX7 Q99572 5/20 0.44
▸ NOTUM Q6P988 7/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ NEK2 P51955 2/20 0.42
▸ SHMT2 P34897 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ RHOA P61586 1/20 0.40

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
SCHEMBL5122944 0.84 SHMT2 (0.62) HTTSHMT2KDM4EGAATSHR
SCHEMBL5128181 0.82 MAP4K4 (0.43) P2RX7MAP4K4KDM4EGAA
SCHEMBL4918026 0.81 P2RX7 (0.55) P2RX7
SCHEMBL4779101 0.78 NPC1 (0.51) HTTKDM4EGAATSHRCASP1
SCHEMBL31381338 0.78 LMNA (0.59) LMNAHTTNOTUMKDM4EHSD17B10
SCHEMBL24844621 0.77 HRH3 (0.62) LMNAHTTNOTUMKDM4EHSD17B10
SCHEMBL1805833 0.75 P2RX7 (0.58) LMNAHTTP2RX7MAP4K4
SCHEMBL27162504 0.75 LMNA (0.47) LMNAHTTNOTUM
SCHEMBL1804368 0.74 P2RX7 (0.69) P2RX7
SCHEMBL1813063 0.74 P2RX7 (0.51) LMNAHTTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1832925-B New P2X7 receptor avtagonists and their use ASTRAZENECA AB 2010-05-05 — — CN disclosed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 — — EP disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 — — US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 — — US disclosed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 — — US disclosed
CN-1832925-A New p2x7 receptor avtagonists and their use ASTRAZENECA AB (SE) 2006-09-13 — — CN disclosed
CN-1829694-A quinoline derivatives and their use in therapy ASTRAZENECA AB (SE) 2006-09-06 — — CN disclosed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 — — EP disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 — — WO 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 (2 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-20060293337-A1 P2x7 receptor antagonists and their use P2RX7, P2RX1, P2RX2 LMNA 1654/4885HTT 3159/4885P2RX7 1/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 LMNA 1654/4885HTT 3159/4885P2RX7 1/4885

“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.

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