SCHEMBL3840909

SCHEMBL3840909

Cc1ccc2nc(Cl)ccc2c1C(=O)NCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.55
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
BCL2A1 Q16548 1/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
MAOB P27338 1/20 0.43
CNR1 P21554 2/20 0.43

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
SCHEMBL3837736 0.88 P2RX7 (0.70) P2RX7MAOB
SCHEMBL3837822 0.82 P2RX7 (0.67) P2RX7
Hydrochloric Acid SCHEMBL3836582 0.81 P2RX7 (0.66) P2RX7
SCHEMBL1805255 0.81 P2RX7 (0.76) P2RX7BCL2BCL2L1MCL1BCL2A1
SCHEMBL5747142 0.79 P2RX7 (0.54) P2RX7BCL2BCL2L1MCL1BCL2A1
SCHEMBL1804304 0.79 P2RX7 (0.54) P2RX7BCL2BCL2L1MCL1BCL2A1
SCHEMBL3839490 0.77 P2RX7 (0.55) P2RX7
SCHEMBL12701351 0.76 ALDH1A1 (0.47)
SCHEMBL17310994 0.76 P2RX7 (0.76) P2RX7
SCHEMBL3842165 0.75 P2RX7 (0.65) 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 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 1/4885BCL2 1222/4885BCL2L1 2076/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885BCL2 1222/4885BCL2L1 2076/4885

“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.