SCHEMBL3837485

SCHEMBL3837485

N#CCCO[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
USP30 Q70CQ3 1/20 0.32
KMT2A Q03164 1/20 0.30
NAAA Q02083 2/20 0.30
NAMPT P43490 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL609220 0.80 PDE4B (0.37) KMT2A
SCHEMBL16414502 0.80 LIPG (0.42) TAAR1KMT2ANAMPTLIPG
SCHEMBL22835940 0.80 LIPG (0.42) TAAR1KMT2ANAMPTLIPG
SCHEMBL22835620 0.80 LIPG (0.42) TAAR1KMT2ANAMPTLIPG
SCHEMBL2898018 0.79 LIPG (0.36) TAAR1NAMPTLIPG
SCHEMBL18669362 0.79 DPP7 (0.37) TAAR1NAMPTLIPG
SCHEMBL18426120 0.78 KMT2A (0.42) TAAR1KMT2ALIPG
SCHEMBL18426119 0.78 KMT2A (0.42) TAAR1KMT2ALIPG
SCHEMBL2146187 0.76 TAAR1 (0.36) TAAR1KMT2ANAMPTLIPG
SCHEMBL28872292 0.76 ALDH1A1 (0.38) KMT2A

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 TAAR1 385/4885USP30 4278/4885KMT2A 3924/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 TAAR1 385/4885USP30 4278/4885KMT2A 3924/4885

“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.