SCHEMBL14257985

SCHEMBL14257985

COc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2c2ccccc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.55
NAMPT P43490 4/20 0.51
ROCK2 O75116 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
FAAH O00519 1/20 0.45
PDE4B Q07343 1/20 0.45
SHMT2 P34897 1/20 0.44
GAA P10253 1/20 0.43
SPTLC2 O15270 2/20 0.43

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
SCHEMBL14258005 0.92 P2RX7 (0.60) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14258021 0.90 P2RX7 (0.57) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14257977 0.90 P2RX7 (0.57) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14257967 0.90 P2RX7 (0.57) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14257991 0.89 P2RX7 (0.56) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14257956 0.89 P2RX7 (0.60) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14258011 0.89 P2RX7 (0.55) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14257989 0.87 P2RX7 (0.60) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14257982 0.87 P2RX7 (0.55) P2RX7NAMPTROCK2KDM4EALDH1A1
SCHEMBL14257958 0.86 ALDH1A1 (0.58) P2RX7NAMPTROCK2ALDH1A1GAA

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
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 P2RX7 1/4885NAMPT 641/4885ROCK2 4222/4885

“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.