SCHEMBL5518002

SCHEMBL5518002

O=C(NC[C@]1(O)CC[C@H](COc2cc(F)cc(F)c2)CC1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.45
CNR2 P34972 3/20 0.44
PARP15 Q460N3 4/20 0.40
PARP10 Q53GL7 4/20 0.40
PARP2 Q9UGN5 2/20 0.40
SCN9A Q15858 1/20 0.39
GABRA5 P31644 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
P2RX7 Q99572 3/20 0.37
SLC6A3 Q01959 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
SCHEMBL5518008 1.00 KAT6A (0.45) KAT6ACNR2PARP15PARP10PARP2
SCHEMBL5518006 1.00 KAT6A (0.45) KAT6ACNR2PARP15PARP10PARP2
SCHEMBL5526201 0.91 SLC6A3 (0.45) KAT6ACNR2NR1H4SLC6A3
SCHEMBL5526205 0.91 SLC6A3 (0.45) KAT6ACNR2NR1H4SLC6A3
SCHEMBL5526202 0.91 SLC6A3 (0.45) KAT6ACNR2NR1H4SLC6A3
SCHEMBL5519321 0.90 PARP15 (0.46) KAT6ACNR2PARP15PARP10PARP2
SCHEMBL5519325 0.90 PARP15 (0.46) KAT6ACNR2PARP15PARP10PARP2
SCHEMBL5519327 0.90 PARP15 (0.46) KAT6ACNR2PARP15PARP10PARP2
SCHEMBL5519129 0.85 PARP15 (0.45) CNR2PARP15PARP10PARP2NR1H4
SCHEMBL5519122 0.85 PARP15 (0.45) CNR2PARP15PARP10PARP2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US claimed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A KAT6A 279/4885CNR2 138/4885PARP15 3115/4885

“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.