SCHEMBL1744203

SCHEMBL1744203

O=C1CCc2c[c]c(Br)cc2N1CCO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
CHRM1 P11229 9/20 0.34
CHRM2 P08172 7/20 0.34
CHRM4 P08173 7/20 0.34
CHRM5 P08912 7/20 0.34
CHRM3 P20309 7/20 0.34
DRD2 P14416 5/20 0.34
DRD4 P21917 5/20 0.34
DRD3 P35462 5/20 0.34
ATAD2 Q6PL18 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL28407822 0.76 DRD2 (0.36) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3342601 0.74 ATAD2 (0.40) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL1746069 0.74 ATAD2 (0.38) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL3342464 0.74 ATAD2 (0.40) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL1744174 0.73 KMO (0.40) CHRM1MEN1KMT2APOLB
SCHEMBL3342463 0.73 PYGL (0.30)
SCHEMBL3344187 0.71 ATAD2 (0.43) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL3605572 0.71 ATAD2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3605571 0.71 CHRM1 (0.40) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL10130299 0.71 GRIN1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3

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
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP claimed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US claimed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HDAC1 1874/4885HDAC8 2538/4885HDAC6 3147/4885

“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.