SCHEMBL4779990

SCHEMBL4779990

CC(C)C1CN(c2cccnn2)CCN1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.53
PRKCD Q05655 5/20 0.53
HDAC1 Q13547 1/20 0.43
NMT1 P30419 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
ZAP70 P43403 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
GLS O94925 2/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PRKCA P17252 1/20 0.36

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
SCHEMBL32685345 1.00 PRKCQ (0.53) PRKCQPRKCDHDAC1NMT1TRPV1
SCHEMBL32685368 1.00 PRKCQ (0.53) PRKCQPRKCDHDAC1NMT1TRPV1
SCHEMBL4795035 0.91 PRKCQ (0.46) PRKCQPRKCDHDAC1ZAP70
SCHEMBL32685342 0.82 PRKCQ (0.49) PRKCQPRKCDHDAC1TRPV1
SCHEMBL32685347 0.82 PRKCQ (0.49) PRKCQPRKCDHDAC1TRPV1
SCHEMBL32685344 0.82 PRKCQ (0.49) PRKCQPRKCDHDAC1TRPV1
SCHEMBL14258699 0.79 HDAC1 (0.44) PRKCQPRKCDHDAC1NMT1ZAP70
SCHEMBL4775881 0.78 BPTF (0.55) PRKCQPRKCDHDAC1
SCHEMBL4725933 0.78 HDAC1 (0.43) PRKCQPRKCDHDAC1NMT1ZAP70
SCHEMBL4725434 0.78 HDAC1 (0.48) PRKCQPRKCDHDAC1NMT1ZAP70

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-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 2970/4885HDAC1 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.