SCHEMBL5519129

SCHEMBL5519129

O=C(NC[C@]1(O)CC[C@@H](COc2ccccc2)CC1)c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.45
PARP10 Q53GL7 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
CHRM4 P08173 1/20 0.44
CNR2 P34972 3/20 0.43
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5519132 1.00 PARP15 (0.45) PARP15PARP10PARP2NR1H4CHRM4
SCHEMBL5519122 1.00 PARP15 (0.45) PARP15PARP10PARP2NR1H4CHRM4
SCHEMBL5521960 0.89 CHRM4 (0.47) CHRM4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5521965 0.89 CHRM4 (0.47) CHRM4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5518072 0.89 NPC1 (0.47) PARP15PARP10PARP2CNR2NPC1
SCHEMBL5519731 0.89 PARP15 (0.46) PARP15PARP10PARP2NR1H4CNR2
SCHEMBL5518075 0.89 NPC1 (0.47) PARP15PARP10PARP2CNR2NPC1
SCHEMBL5519740 0.89 PARP15 (0.46) PARP15PARP10PARP2NR1H4CNR2
SCHEMBL5519736 0.89 PARP15 (0.46) PARP15PARP10PARP2NR1H4CNR2
SCHEMBL5518070 0.89 NPC1 (0.47) PARP15PARP10PARP2CNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A PARP15 3115/4885PARP10 3349/4885PARP2 4417/4885

“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.