SCHEMBL26669232

SCHEMBL26669232

O=c1[nH]c(C2(c3ccc(COc4ccccc4)cc3)CC2)nc2c1CNCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
MCHR1 Q99705 5/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
BTK Q06187 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP3A4 P08684 1/20 0.37
PRMT5 O14744 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
PARP1 P09874 1/20 0.35
MMP3 P08254 1/20 0.34
MMP10 P09238 1/20 0.34

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
SCHEMBL23972779 0.96 HTR2C (0.43) HTR2CMCHR1TNKSTNKS2BTK
SCHEMBL23972481 0.85 HTR2C (0.44) HTR2CTNKSTNKS2CYP3A4MEN1
SCHEMBL23973269 0.84 MCHR1 (0.42) MCHR1CYP3A4
SCHEMBL23973342 0.83 HTR2C (0.42) HTR2CTNKSTNKS2CYP3A4KMT2A
SCHEMBL23973129 0.81 HTR2C (0.43) HTR2CTNKSTNKS2MEN1TSHR
SCHEMBL23973229 0.80 TNKS (0.40) HTR2CTNKSTNKS2CYP3A4TSHR
SCHEMBL23973211 0.80 TNKS (0.39) HTR2CTNKSTNKS2BTKPARP1
SCHEMBL23972276 0.79 TP53 (0.40) HTR2CTNKSTNKS2PARP1
SCHEMBL23973236 0.79 TNKS2 (0.39) HTR2CTNKSTNKS2PARP1
SCHEMBL23973234 0.79 HTR2C (0.41) 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
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US 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 123/4885MCHR1 693/4885TNKS 1079/4885

“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.