SCHEMBL4893626

SCHEMBL4893626

O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2c(cccc2N=C=S)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 6/20 0.40
UCHL1 P09936 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
EPHX2 P34913 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL28202799 0.82 ABHD6 (0.44) ABHD6UCHL1DPP8DPP9PRMT5
SCHEMBL4890883 0.82 TMEM97 (0.53) PTGDR2TMEM97SIGMAR1KMT2A
SCHEMBL4781391 0.81 ABHD6 (0.43) ABHD6UCHL1DPP8DPP9PRMT5
SCHEMBL8276042 0.80 PRMT5 (0.53) ABHD6DPP8DPP9PRMT5WDR77
SCHEMBL7533300 0.76 DPP8 (0.52) DPP8DPP9PRMT5WDR77EPHX2
SCHEMBL28263416 0.74 TSHR (0.45) DPP8DPP9PRMT5WDR77EPHX2
SCHEMBL16523597 0.72 ESR2 (0.48) PRMT5WDR77EPHX2TMEM97SIGMAR1
SCHEMBL13327274 0.72 POLB (0.52) EPHX2KMT2AFABP7FABP5
SCHEMBL22397770 0.72 POLB (0.52) EPHX2KMT2AFABP7FABP5
SCHEMBL1128835 0.71 POLB (0.47) EPHX2KMT2AFABP7FABP5

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 3 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

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 ABHD6 4438/4885UCHL1 4407/4885DPP8 1454/4885

“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.