SCHEMBL3342464

SCHEMBL3342464

Nc1cc2c(cc1Br)N(CCO)C(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.40
HDAC1 Q13547 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 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
LOXL2 Q9Y4K0 1/20 0.34
TYMS P04818 1/20 0.33
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31
NOS2 P35228 2/20 0.31
CYP2D6 P10635 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
SCHEMBL3342601 0.94 ATAD2 (0.40) ATAD2HDAC1HDAC8HDAC6CHRM1
SCHEMBL3344187 0.83 ATAD2 (0.43) ATAD2HDAC1HDAC8HDAC6CHRM1
SCHEMBL20594801 0.77 LGMN (0.39) ATAD2DRD2DRD4DRD3
SCHEMBL31714399 0.77 ATAD2 (0.60) ATAD2HDAC1HDAC8HDAC6CHRM1
SCHEMBL3605572 0.77 ATAD2 (0.52) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL3599801 0.77 ATAD2 (0.68) ATAD2HDAC1HDAC8HDAC6CHRM1
SCHEMBL1744203 0.74 HDAC1 (0.36) ATAD2HDAC1HDAC8HDAC6CHRM1
SCHEMBL3345870 0.73 KMO (0.42) CHRM1
SCHEMBL30896361 0.71 CYP11B2 (0.40) ATAD2
SCHEMBL1744184 0.71 CYP11B2 (0.40) ATAD2

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-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US 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 ATAD2 2666/4885HDAC1 1874/4885HDAC8 2538/4885

“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.