SCHEMBL3343071

SCHEMBL3343071

Cc1cc(-c2ccc(C)c(C(N)=O)c2)n(CCO)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
NCOR2 Q9Y618 3/20 0.39
GAA P10253 1/20 0.39
MARS1 P56192 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL3347972 0.82 GPR52 (0.43) GPR52ALDH1A1HPGDTDP1SIRT3
SCHEMBL3343074 0.81 GAA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3346285 0.80 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3343238 0.78 MEN1 (0.46) ALDH1A1PDE4D
SCHEMBL3343786 0.77 MKNK1 (0.39) HDAC1ALDH1A1TDP1SIRT3PDE4D
SCHEMBL3343187 0.75 P2RX7 (0.47) HDAC1ALDH1A1TDP1SIRT3MKNK1
SCHEMBL3342747 0.75 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3489559 0.74 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3341042 0.72 NR3C2 (0.57) TDP1SIRT3PDE4DPDE7AMKNK1
SCHEMBL3344435 0.71 PKMYT1 (0.47) TDP1SIRT3MKNK1MKNK2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 HDAC3 1490/4885HDAC4 3050/4885HDAC1 2334/4885

“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.