SCHEMBL4795459

SCHEMBL4795459

CC(C)C1CN(c2cncc(Cl)n2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PRKCQ Q04759 3/20 0.42
PRKCD Q05655 1/20 0.42
HDAC1 Q13547 1/20 0.41
ZAP70 P43403 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL14258753 0.85 PRKCQ (0.43) ALDH1A1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL15542887 0.82 PRKCQ (0.43) ALDH1A1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL14259178 0.80 HDAC1 (0.46) PRKCQPRKCDHDAC1ZAP70ROCK2
SCHEMBL15543584 0.77 SORD (0.48) PRKCQPRKCDHDAC1ZAP70ROCK2
SCHEMBL4795816 0.77 PRKCQ (0.48) PRKCQPRKCDHDAC1ZAP70ROCK2
SCHEMBL4775881 0.77 BPTF (0.55) MEN1CYP1A2KMT2APRKCQPRKCD
SCHEMBL4794349 0.77 BPTF (0.55) MEN1CYP1A2KMT2APRKCQPRKCD
SCHEMBL38664315 0.77 KDM4E (0.57) ALDH1A1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL38666617 0.77 HTR2A (0.61) ALDH1A1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL38665022 0.76 KDM4E (0.54) ALDH1A1KDM4EMEN1CYP1A2CYP3A4

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 5 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
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 ALDH1A1 852/4885KDM4E 3365/4885MEN1 4288/4885

“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.