SCHEMBL23973017

SCHEMBL23973017

O=C(C1CC1c1ccccc1)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 7/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
HRH3 Q9Y5N1 7/20 0.40

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
SCHEMBL31407024 1.00 MTHFD2 (0.44) MTHFD2PTGDR2SIGMAR1HRH3
SCHEMBL30283868 1.00 MTHFD2 (0.44) MTHFD2PTGDR2SIGMAR1HRH3
SCHEMBL34464082 1.00 MTHFD2 (0.44) MTHFD2PTGDR2SIGMAR1HRH3
SCHEMBL31407022 0.85 MTHFD2 (0.39) MTHFD2PTGDR2
SCHEMBL34464166 0.85 MTHFD2 (0.39) MTHFD2PTGDR2
SCHEMBL23972440 0.85 MTHFD2 (0.39) MTHFD2PTGDR2
SCHEMBL30284233 0.85 MTHFD2 (0.39) MTHFD2PTGDR2
SCHEMBL23973019 0.80 MTHFD2 (0.46) MTHFD2PTGDR2
SCHEMBL3673639 0.80 MTHFD2 (0.44) MTHFD2
SCHEMBL23973058 0.79 MTHFD2 (0.46) MTHFD2

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 2762/4885PTGDR2 128/4885SIGMAR1 740/4885

“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.