SCHEMBL25937486

SCHEMBL25937486

CNC(=O)C1CCCc2ccccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.53
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MTNR1A P48039 3/20 0.45
HTR1A P08908 4/20 0.42
HTR2A P28223 4/20 0.42
DRD3 P35462 4/20 0.42
MASP2 O00187 1/20 0.42
F2 P00734 1/20 0.42
HTR2C P28335 2/20 0.40
DRD2 P14416 1/20 0.40
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP3 P08254 4/20 0.39
MMP9 P14780 4/20 0.39
MMP8 P22894 4/20 0.39
HTT P42858 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 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
SCHEMBL8567344 0.91 SMYD3 (0.63) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL8567346 0.91 SMYD3 (0.63) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL8567341 0.91 SMYD3 (0.63) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL17675115 0.81 MAPT (0.65) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL30146036 0.81 GAA (0.65) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL13610792 0.81 GAA (0.65) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL8791310 0.80 MAPT (0.50) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL8067762 0.80 MAPT (0.50) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL32680077 0.80 MAPT (0.50) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL8790874 0.78 MAPT (0.47) SMYD3MAPTGAAMTNR1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240960-A1 COMPOSITIONS, FORMULATIONS, AND METHODS FOR SKIN TREATMENT ODDITY LABS, LLC 2023-08-03 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-20230240960-A1 COMPOSITIONS, FORMULATIONS, AND METHODS FOR SKIN TREATMENT CUTA, COL14A1, DSG1 SMYD3 2221/4885MAPT 404/4885GAA 1003/4885

“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.