SCHEMBL4881013

SCHEMBL4881013

O=C(O)[C@@H]1CCCN1c1ncccc1Br

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.41
OGFRL1 Q5TC84 1/20 0.41
HPGD P15428 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.39
MALT1 Q9UDY8 5/20 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
SCHEMBL29221023 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10KMT2AALDH1A1OGFRL1
SCHEMBL29221025 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10KMT2AALDH1A1OGFRL1
SCHEMBL10209181 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMALT1
SCHEMBL10209176 0.81 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10KMT2AALDH1A1OGFRL1
SCHEMBL11055247 0.80 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPT
SCHEMBL9105161 0.77 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10KMT2AALDH1A1OGFRL1
SCHEMBL9105152 0.77 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10KMT2AALDH1A1OGFRL1
SCHEMBL3836397 0.77 SMN1; SMN2 (0.48) SMN1; SMN2HSD17B10KMT2AALDH1A1OGFRL1
SCHEMBL4881098 0.76 DYRK1A (0.48) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPT
SCHEMBL21853236 0.75 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 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 (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-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 SMN1; SMN2 3067/4885HSD17B10 4456/4885KMT2A 3568/4885

“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.