SCHEMBL3854934

SCHEMBL3854934

Cc1ccc2nc(CCCC(C)NC(=O)O)ccc2c1NC(=O)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.46
EPHX2 P34913 2/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CSNK1D P48730 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
KCNJ11 Q14654 1/20 0.34

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
SCHEMBL27636277 0.85 P2RX7 (0.49) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL1807797 0.84 P2RX7 (0.52) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL3843804 0.83 P2RX7 (0.51) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL4136137 0.81 P2RX7 (0.46) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL3842165 0.77 P2RX7 (0.65) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL3837447 0.76 P2RX7 (0.63) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL1805790 0.75 P2RX7 (0.62) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL1804074 0.75 P2RX7 (0.62) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL3839473 0.75 P2RX7 (0.59) P2RX7EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL1807655 0.75 P2RX7 (0.62) P2RX7EPHX2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 P2RX7 1/4885EPHX2 1014/4885RAB9A 2668/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885EPHX2 1014/4885RAB9A 2668/4885

“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.