SCHEMBL23972749

SCHEMBL23972749

N=C(N)C1(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PARP10 Q53GL7 1/20 0.51
MAOB P27338 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F10 P00742 2/20 0.48
F2 P00734 4/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL23972331 0.85 F10 (0.51) MAOBF10F2NR4A2F9
Hydrochloric Acid SCHEMBL26602808 0.83 F2 (0.51) MAOBF10F2NR4A2F9
SCHEMBL14347698 0.82 NR4A1 (0.57) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL14347696 0.79 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10253179 0.78 NR4A1 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL20755014 0.77 NPC1 (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL31582061 0.77 PARP10 (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1622891 0.77 AKR1C1 (0.47) MAOBMAOAF10F2PRSS1
SCHEMBL27078205 0.77 MEN1 (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL12614689 0.76 MAOB (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 EP disclosed
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
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 LMNA 4199/4885CYP1A2 2564/4885PTGS1 135/4885

“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.