SCHEMBL22388783

SCHEMBL22388783

CC(C)(C)c1cnn(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.64
DRD2 P14416 8/20 0.64
DRD3 P35462 8/20 0.64
HTR2C P28335 5/20 0.63
HTR1A P08908 1/20 0.50

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
SCHEMBL20847630 0.84 DRD4 (0.69) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL22388781 0.79 MELK (0.58) DRD4DRD2DRD3
SCHEMBL6014220 0.78 DRD4 (1.00) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL18965735 0.77 DRD4 (0.70) DRD4DRD2DRD3
SCHEMBL9607548 0.77 GAA (0.53) DRD4DRD2DRD3
SCHEMBL22388784 0.76 MAPT (0.46) DRD4DRD2DRD3
SCHEMBL22388785 0.75 ADRB1 (0.47)
SCHEMBL22388848 0.74 DRD4 (0.56) DRD4DRD2DRD3
SCHEMBL18965827 0.74 DRD4 (0.64) DRD4DRD2DRD3HTR1A
SCHEMBL14094665 0.73 DRD4 (0.68) DRD4DRD2DRD3HTR2C

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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2020-09-03 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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF MKI67, PKD1, ETV6 DRD4 4824/4885DRD2 4857/4885DRD3 4874/4885

“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.