SCHEMBL4781035

SCHEMBL4781035

CC(C)C1CN(c2cc(N(C)C)ncn2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.43
PRKCD Q05655 1/20 0.43
NMT1 P30419 1/20 0.40
HDAC1 Q13547 1/20 0.39
PRCP P42785 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ZAP70 P43403 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
MAP4K4 O95819 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ACACB O00763 2/20 0.33
SPAST Q9UBP0 1/20 0.33
HTT P42858 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
METTL3 Q86U44 1/20 0.32

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
SCHEMBL4846681 0.84 PRKCQ (0.38) PRKCQPRKCDNMT1HDAC1PRCP
SCHEMBL4776496 0.82 PRKCQ (0.44) PRKCQPRKCDNMT1HDAC1PRCP
SCHEMBL4889132 0.77 HRH4 (0.47) PRKCQPRKCDNMT1HDAC1PRCP
SCHEMBL26669946 0.76 CYP1A2 (0.50) HRH4HRH3METTL3
SCHEMBL4781169 0.75 PRKCQ (0.47) PRKCQPRKCDNMT1HDAC1TLR9
SCHEMBL14186227 0.74 NMT1 (0.52) PRKCQPRKCDNMT1HDAC1TLR9
SCHEMBL14268090 0.71 HDAC1 (0.47) PRKCQPRKCDNMT1HDAC1TLR9
SCHEMBL14186231 0.69 HDAC1 (0.53) PRKCQPRKCDNMT1HDAC1TLR9
SCHEMBL14259178 0.69 HDAC1 (0.46) PRKCQPRKCDNMT1HDAC1TLR9
SCHEMBL19035699 0.69 PRKCQ (0.49) PRKCQPRKCDNMT1HDAC1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 PRKCQ 2919/4885PRKCD 2970/4885NMT1 2087/4885

“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.