SCHEMBL4889132

SCHEMBL4889132

CC(C)C1CN(c2cc(NCCN(C)C)ncn2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.47
HRH3 Q9Y5N1 3/20 0.43
DNM2 P50570 2/20 0.41
HRH2 P25021 1/20 0.40
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 1/20 0.38
NMT1 P30419 1/20 0.38
HDAC1 Q13547 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
AURKA O14965 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ZAP70 P43403 1/20 0.35
PRCP P42785 2/20 0.35

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
SCHEMBL4781035 0.77 PRKCQ (0.43) HRH4HRH3PRKCQPRKCDNMT1
SCHEMBL2948693 0.76 HRH4 (0.55) HRH4HRH3DNM2HRH2AURKA
SCHEMBL4776496 0.74 PRKCQ (0.44) HRH4PRKCQPRKCDNMT1HDAC1
SCHEMBL1775168 0.74 HRH4 (0.54) HRH4HRH3HRH2PRKCQPRKCD
SCHEMBL1773333 0.74 HRH4 (0.54) HRH4HRH3HRH2PRKCQPRKCD
SCHEMBL4846681 0.70 PRKCQ (0.38) HRH4PRKCQPRKCDNMT1HDAC1
SCHEMBL4781169 0.68 PRKCQ (0.47) PRKCQPRKCDNMT1HDAC1ROCK2
SCHEMBL14186227 0.67 NMT1 (0.52) PRKCQPRKCDNMT1HDAC1ROCK2
SCHEMBL12410840 0.66 DNM2 (0.57) HRH4HRH3DNM2AURKAKIT
SCHEMBL1774878 0.65 HRH4 (0.71) HRH4HRH3PRCP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US 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 HRH4 817/4885HRH3 1026/4885DNM2 3378/4885

“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.