SCHEMBL23972779

SCHEMBL23972779

O=c1[nH]c(C2(c3ccc(OCc4ccccc4)cc3)CC2)nc2c1CNCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
BTK Q06187 1/20 0.41
MCHR1 Q99705 4/20 0.40
PRMT5 O14744 3/20 0.40
MMP13 P45452 2/20 0.39
MMP2 P08253 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP3A4 P08684 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
XDH P47989 1/20 0.37
PARP1 P09874 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL26669232 0.96 HTR2C (0.40) HTR2CBTKMCHR1PRMT5MMP13
SCHEMBL23972481 0.85 HTR2C (0.44) HTR2CCYP3A4TNKSTNKS2PARP1
SCHEMBL23973269 0.84 MCHR1 (0.42) MCHR1CYP3A4
SCHEMBL23973342 0.83 HTR2C (0.42) HTR2CCYP3A4TNKSTNKS2PARP1
SCHEMBL23973129 0.81 HTR2C (0.43) HTR2CTNKSTNKS2PARP1
SCHEMBL23973229 0.80 TNKS (0.40) HTR2CCYP3A4TNKSTNKS2PARP1
SCHEMBL23972276 0.79 TP53 (0.40) HTR2CTNKSTNKS2PARP1
SCHEMBL23973233 0.79 TNKS2 (0.39) HTR2CMMP13TNKSTNKS2PARP1
SCHEMBL23973237 0.79 HTR2C (0.40) HTR2CMMP13TNKSTNKS2PARP1
SCHEMBL23973236 0.79 TNKS2 (0.39) HTR2CTNKSTNKS2PARP1

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 2 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
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 HTR2C 123/4885BTK 2820/4885MCHR1 693/4885

“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.