SCHEMBL4782002

SCHEMBL4782002

COC(=O)c1cnc(N2CCNC(C(C)C)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
PRKCQ Q04759 3/20 0.46
ZAP70 P43403 1/20 0.44
SMO Q99835 4/20 0.40
PRKCD Q05655 1/20 0.38
NMT1 P30419 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL4795093 0.84 HDAC1 (0.48) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL10117502 0.81 PRKCQ (0.44) HDAC1PRKCQZAP70SMOPRKCD
SCHEMBL63689 0.79 HDAC1 (0.49) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL63690 0.79 HDAC1 (0.49) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL1831306 0.79 HDAC3 (0.48) HDAC1SMO
SCHEMBL14268090 0.79 HDAC1 (0.47) HDAC1PRKCQZAP70PRKCDNMT1
Hydrochloric Acid SCHEMBL4427145 0.77 KMT2A (0.48) HDAC1SMO
SCHEMBL26712490 0.77 SMO (0.44) SMO
SCHEMBL14259178 0.76 HDAC1 (0.46) HDAC1PRKCQZAP70PRKCDNMT1
SCHEMBL24033384 0.75 SMO (0.48) SMO

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 2919/4885ZAP70 2461/4885

“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.