SCHEMBL23973002

SCHEMBL23973002

CC(C)(C)c1cccc(-c2cccc(CC(=O)N3CCc4nc(C5(c6cccc(Cl)c6)CC5)[nH]c(=O)c4C3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 8/20 0.37
TRPV1 Q8NER1 1/20 0.36
CLPP Q16740 1/20 0.36
MAPT P10636 2/20 0.35
KDR P35968 1/20 0.35
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRM1 P35372 1/20 0.33
FFAR2 O15552 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL30284392 1.00 MTHFD2 (0.37) MTHFD2TRPV1CLPPMAPTKDR
SCHEMBL23973004 0.96 MEN1 (0.34) MTHFD2TRPV1CLPPMAPTKDR
SCHEMBL30284029 0.96 MEN1 (0.34) MTHFD2TRPV1CLPPMAPTKDR
SCHEMBL23972793 0.95 TRPV1 (0.38) MTHFD2TRPV1CLPPMAPTKDR
SCHEMBL30284337 0.95 TRPV1 (0.38) MTHFD2TRPV1CLPPMAPTKDR
SCHEMBL23973435 0.93 MEN1 (0.39) MTHFD2TRPV1CLPPKDR
SCHEMBL30283803 0.93 MEN1 (0.39) MTHFD2TRPV1CLPPKDR
SCHEMBL30283851 0.93 MTHFD2 (0.41) MTHFD2TRPV1CLPPMAPTKDR
SCHEMBL23972801 0.93 MTHFD2 (0.41) MTHFD2TRPV1CLPPMAPTKDR
SCHEMBL34464288 0.91 MEN1 (0.36) MTHFD2CLPPMAPTKDROPRD1

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 MTHFD2 2762/4885TRPV1 2/4885CLPP 3447/4885

“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.