SCHEMBL23972247

SCHEMBL23972247

OB(O)c1ccc(N2CCC(c3ccccc3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
MLYCD O95822 1/20 0.43
DGAT1 O75907 2/20 0.41
SLC18A3 Q16572 6/20 0.40
KDM6B O15054 1/20 0.39
RET P07949 1/20 0.39
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL31407021 1.00 DHFR (0.45) DHFRMLYCDDGAT1SLC18A3KDM6B
SCHEMBL29377211 0.81 MAPT (0.44) RET
SCHEMBL21916945 0.81 MAPT (0.44) RET
SCHEMBL23972249 0.80 GRIN2D (0.52) DHFRMLYCD
SCHEMBL17442208 0.80 MAPT (0.54) TSHRSMN1; SMN2ALDH1A1
SCHEMBL22117672 0.78 GRIN2B (0.51) DHFRMLYCDDGAT1SLC18A3CYP2D6
SCHEMBL2393500 0.78 DHFR (0.55) DHFRMLYCDDGAT1SLC18A3SLC6A3
SCHEMBL3307866 0.78 HRH3 (0.51) DHFRMLYCDDGAT1TSHRSMN1; SMN2
SCHEMBL23972404 0.77 RET (0.47) DGAT1RETTSHRSMN1; SMN2SIGMAR1
SCHEMBL29377204 0.77 UBE2T (0.51) SMN1; SMN2ALDH1A1

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 DHFR 950/4885MLYCD 4315/4885DGAT1 4087/4885

“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.