SCHEMBL23973303

SCHEMBL23973303

CC(C)(C)OC(=O)N1CCc2nc(C3(c4cccc(-c5ccccc5)c4)CC3)[nH]c(=O)c2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 8/20 0.44
USP30 Q70CQ3 1/20 0.43
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
F12 P00748 1/20 0.41
CRBN Q96SW2 1/20 0.40
NR1H2 P55055 3/20 0.39
RXRA P19793 2/20 0.39
NR1H3 Q13133 2/20 0.39
PDE10A Q9Y233 1/20 0.39
KIT P10721 1/20 0.39
SCD5 Q86SK9 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL23973298 0.92 MTHFD2 (0.46) MTHFD2USP30PARP1TNKS2PARP2
SCHEMBL26602815 0.91 MTHFD2 (0.43) MTHFD2USP30PARP1TNKS2PARP2
SCHEMBL23973006 0.89 F12 (0.41) MTHFD2PARP1TNKS2PARP2F12
SCHEMBL23973281 0.88 F12 (0.37) MTHFD2PARP1TNKS2PARP2F12
SCHEMBL23972974 0.87 F12 (0.40) MTHFD2PARP1TNKS2PARP2F12
SCHEMBL23973274 0.87 SPR (0.42) MTHFD2PARP1TNKS2PARP2MAPT
SCHEMBL23972973 0.87 PARP1 (0.41) MTHFD2PARP1TNKS2PARP2F12
SCHEMBL31407028 0.87 PARP1 (0.41) MTHFD2PARP1TNKS2PARP2F12
SCHEMBL23972386 0.86 MTHFD2 (0.40) MTHFD2USP30KITSCD5
SCHEMBL23972396 0.86 MTHFD2 (0.44) MTHFD2PARP1TNKS2PARP2CRBN

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
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 MTHFD2 2762/4885USP30 4459/4885PARP1 2542/4885

“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.