SCHEMBL4778404

SCHEMBL4778404

NC(=O)NN1CCN(NC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
THPO P40225 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA5A P35218 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HTT P42858 2/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CRBN Q96SW2 1/20 0.30

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
SCHEMBL337968 1.00
SCHEMBL1259613 0.88
SCHEMBL244127 0.88
SCHEMBL5198300 0.87 CA12 (0.59) CA2CA9CA12LMNACYP1A2
SCHEMBL7747487 0.86 HTT (0.45) NFKB1LMNACYP3A4HTT
SCHEMBL7749230 0.86 HTT (0.45) NFKB1LMNACYP3A4HTT
SCHEMBL1259794 0.86 HTT (0.45) NFKB1LMNACYP3A4HTT
SCHEMBL15282042 0.86 HTT (0.45) NFKB1LMNACYP3A4HTT
SCHEMBL7749096 0.86 HTT (0.45) NFKB1LMNACYP3A4HTT
SCHEMBL2520895 0.82 CA12 (0.50) CA2CA9CA12HTTCYP2D6

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 CA2 1470/4885CA9 4670/4885CA12 4824/4885

“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.