SCHEMBL23972726

SCHEMBL23972726

Cc1cccc(C(O)C(=O)N2CCc3nc(C4(c5ccccc5)CC4)[nH]c(=O)c3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 8/20 0.41
▸ CLPP Q16740 1/20 0.39
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ SPR P35270 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ USP9X Q93008 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL30283932 1.00 MTHFD2 (0.41) MTHFD2CLPPOPRM1OPRD1OPRK1
SCHEMBL23972479 0.95 MTHFD2 (0.42) MTHFD2CLPPDGAT2SPRBRD4
SCHEMBL30284344 0.95 MTHFD2 (0.42) MTHFD2CLPPDGAT2SPRBRD4
SCHEMBL30283970 0.93 MTHFD2 (0.37) MTHFD2CLPPROCK2CYP3A4MAPT
SCHEMBL23973030 0.93 THRB (0.37) MTHFD2CLPPDGAT2KDRUSP9X
SCHEMBL30283762 0.93 THRB (0.37) MTHFD2CLPPDGAT2KDRUSP9X
SCHEMBL23972720 0.93 MTHFD2 (0.37) MTHFD2CLPPROCK2CYP3A4MAPT
SCHEMBL23972403 0.92 MTHFD2 (0.41) MTHFD2CLPPSPRROCK2CYP3A4
SCHEMBL30284285 0.92 MTHFD2 (0.41) MTHFD2CLPPSPRROCK2CYP3A4
SCHEMBL23973058 0.91 MTHFD2 (0.46) MTHFD2CLPPDGAT2SPRROCK2

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
CN-115427409-A Pyrimidin-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2022-12-02 — — CN 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 2762/4885CLPP 3447/4885OPRM1 204/4885

“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.

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