SCHEMBL4795093

SCHEMBL4795093

CC(C)C1CN(c2cnc(C(=O)N(C)C)cn2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
PRKCQ Q04759 3/20 0.46
PARP1 P09874 1/20 0.41
ZAP70 P43403 1/20 0.39
PRKCD Q05655 1/20 0.38
NMT1 P30419 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
USP25 Q9UHP3 2/20 0.34
ACVR1 Q04771 1/20 0.34
USP28 Q96RU2 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTT P42858 1/20 0.33
GPR6 P46095 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
SCHEMBL4782002 0.84 HDAC1 (0.50) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL4795816 0.83 PRKCQ (0.48) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL4794373 0.81 PRKCQ (0.46) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL14268090 0.79 HDAC1 (0.47) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL14259178 0.76 HDAC1 (0.46) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL14186231 0.71 HDAC1 (0.53) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL15589508 0.68 HTR3A (0.51) HDAC1PRKCQPRKCDHTT
SCHEMBL4781035 0.68 PRKCQ (0.43) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL15589509 0.68 HTR3A (0.51) HDAC1PRKCQPRKCDHTT
SCHEMBL14305157 0.68 HTR3A (0.51) HDAC1PRKCQPRKCDHTT

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 HDAC1 2092/4885PRKCQ 2919/4885PARP1 1412/4885

“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.