SCHEMBL4778367

SCHEMBL4778367

CC(C)C1CN(c2ccnc(Cl)n2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.51
PRKCD Q05655 2/20 0.51
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
ZAP70 P43403 1/20 0.43
NMT1 P30419 1/20 0.43
HDAC1 Q13547 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
OGA O60502 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
HTR6 P50406 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PRKCA P17252 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
SCHEMBL14258793 0.85 PRKCQ (0.52) PRKCQPRKCDROCK2ROCK1ZAP70
SCHEMBL27635881 0.83 PRKCQ (0.47) PRKCQPRKCDROCK2ZAP70TRPV1
SCHEMBL27635882 0.83 PRKCQ (0.47) PRKCQPRKCDROCK2ZAP70TRPV1
SCHEMBL4781169 0.78 PRKCQ (0.47) PRKCQPRKCDROCK2ROCK1ZAP70
SCHEMBL14186227 0.77 NMT1 (0.52) PRKCQPRKCDROCK2ROCK1ZAP70
SCHEMBL15589492 0.77 PRKCQ (0.54) PRKCQPRKCDROCK2ROCK1ZAP70
SCHEMBL15589488 0.76 PRKCQ (0.61) PRKCQPRKCDROCK2ROCK1ZAP70
SCHEMBL14259178 0.76 HDAC1 (0.46) PRKCQPRKCDROCK2ROCK1ZAP70
SCHEMBL4775881 0.76 BPTF (0.55) PRKCQPRKCDHDAC1
SCHEMBL4794349 0.76 BPTF (0.55) PRKCQPRKCDHDAC1

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 4 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
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
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 2970/4885ROCK2 4222/4885

“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.