SCHEMBL4725933

SCHEMBL4725933

CC(C)C1CN(c2ccc(Br)nn2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
PRKCQ Q04759 3/20 0.43
PRKCD Q05655 1/20 0.43
NMT1 P30419 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ZAP70 P43403 1/20 0.39
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
SPAST Q9UBP0 1/20 0.35
BPTF Q12830 1/20 0.35
HTT P42858 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
USP25 Q9UHP3 2/20 0.32
USP28 Q96RU2 1/20 0.32
CDK4 P11802 2/20 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
SCHEMBL14258699 0.84 HDAC1 (0.44) HDAC1PRKCQPRKCDNMT1TLR9
SCHEMBL4794349 0.83 BPTF (0.55) HDAC1PRKCQPRKCDBPTFHTT
SCHEMBL4775881 0.83 BPTF (0.55) HDAC1PRKCQPRKCDBPTFHTT
SCHEMBL4725434 0.83 HDAC1 (0.48) HDAC1PRKCQPRKCDNMT1TLR9
SCHEMBL4726491 0.81 HDAC1 (0.42) HDAC1PRKCQPRKCDNMT1TLR9
SCHEMBL14303428 0.81 PRKCQ (0.43) HDAC1PRKCQPRKCDNMT1TLR9
SCHEMBL4779990 0.78 PRKCQ (0.53) HDAC1PRKCQPRKCDNMT1TLR9
SCHEMBL32685368 0.78 PRKCQ (0.53) HDAC1PRKCQPRKCDNMT1TLR9
SCHEMBL32685345 0.78 PRKCQ (0.53) HDAC1PRKCQPRKCDNMT1TLR9
SCHEMBL22658607 0.77 HTT (0.46) HDAC1PRKCQPRKCDNMT1TLR9

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
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 HDAC1 2092/4885PRKCQ 2919/4885PRKCD 2970/4885

“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.