SCHEMBL4781601

SCHEMBL4781601

CC(C)C1CN(c2nccnc2Cl)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.41
PRKCD Q05655 1/20 0.41
HDAC1 Q13547 1/20 0.40
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
HTR6 P50406 1/20 0.37
NMT1 P30419 1/20 0.36
ZAP70 P43403 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SPAST Q9UBP0 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTT P42858 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL3884627 0.82 MAPK13 (0.46) PRKCQPRKCDHDAC1ROCK2MAPK13
SCHEMBL3882295 0.82 MAPK13 (0.46) PRKCQPRKCDHDAC1ROCK2MAPK13
SCHEMBL3882291 0.82 MAPK13 (0.46) PRKCQPRKCDHDAC1ROCK2MAPK13
SCHEMBL19035699 0.76 PRKCQ (0.49) PRKCQPRKCDHDAC1ROCK2ROCK1
SCHEMBL29465145 0.74 ROCK2 (0.46) PRKCQPRKCDHDAC1ROCK2ROCK1
SCHEMBL22658660 0.74 ROCK2 (0.46) PRKCQPRKCDHDAC1ROCK2ROCK1
SCHEMBL22658659 0.74 ROCK2 (0.46) PRKCQPRKCDHDAC1ROCK2ROCK1
SCHEMBL30534249 0.74 ROCK2 (0.46) PRKCQPRKCDHDAC1ROCK2ROCK1
SCHEMBL30534239 0.74 ROCK2 (0.46) PRKCQPRKCDHDAC1ROCK2ROCK1
SCHEMBL4778367 0.74 PRKCQ (0.51) PRKCQPRKCDHDAC1ROCK2ROCK1

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 2970/4885HDAC1 2092/4885

“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.