SCHEMBL23972737

SCHEMBL23972737

CCOC(=O)CCC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.45
LPL P06858 5/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
F11 P03951 2/20 0.40
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DGAT1 O75907 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSAB1 Q15661 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL28933128 0.85 NPC1 (0.51) LIPGLPLNPC1RAB9AF11
SCHEMBL67865 0.82 LIPG (0.59) LIPGLPLF11CYP4F2CYP4A11
SCHEMBL23960089 0.80 LIPG (0.59) LIPGLPLF11CYP4F2CYP4A11
SCHEMBL10228 0.79 LIPG (0.54) LIPGLPLF11SMN1; SMN2F2
SCHEMBL1684669 0.79 LIPG (0.53) LIPGLPLNPC1RAB9AF11
SCHEMBL19511369 0.79 LIPG (0.62) LIPGLPLF11KMT2ACYP4F2
SCHEMBL14659461 0.78 LIPG (0.51) LIPGLPLF11SMN1; SMN2ALDH1A1
SCHEMBL12989381 0.76 LIPG (0.50) LIPGLPLF11F2PRSS1
SCHEMBL12215723 0.76 MAPT (0.54) KMT2AALDH1A1L3MBTL1CA1CA2
SCHEMBL14242671 0.75 LIPG (0.42) LIPGLPLF11DGAT1F2

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-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 LIPG 4765/4885LPL 4788/4885NPC1 2311/4885

“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.