SCHEMBL5511933

SCHEMBL5511933

COC(=O)C1CC(Oc2cnc3ccccc3n2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
UCHL1 P09936 1/20 0.43
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MCL1 Q07820 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HDAC1 Q13547 1/20 0.37
PTPN1 P18031 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CG P48736 2/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL7814803 1.00 P2RX3 (0.44) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL5505027 0.90 UCHL1 (0.44) UCHL1MCL1MEN1KMT2APDE3B
SCHEMBL5510597 0.88 UCHL1 (0.49) UCHL1MCL1MEN1KMT2APDE3B
SCHEMBL5507861 0.84 NR1H2 (0.39) UCHL1NR1H2MEN1KMT2APDE3B
SCHEMBL30729568 0.84 HRH3 (0.46) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL5518408 0.83 SRC (0.44) UCHL1MEN1KMT2APDE3BPDE3A
SCHEMBL6864073 0.82 P2RX3 (0.48) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL8262296 0.82 P2RX3 (0.42) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL12892971 0.81 P2RX3 (0.46) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL29991738 0.81 P2RX3 (0.48) P2RX3UCHL1NR1H2NR1H3MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838702-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Pfizer Products Inc. (US) 2007-10-03 EP disclosed
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PFIZER INC 2006-08-17 US disclosed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 WO disclosed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 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-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PDE12, PDE4A, PDE7A P2RX3 501/4885UCHL1 453/4885NR1H2 4053/4885

“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.