SCHEMBL4145757

SCHEMBL4145757

CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2C(=O)N(C)C)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.43
KCNH2 Q12809 1/20 0.43
USP30 Q70CQ3 1/20 0.38
CASP3 P42574 1/20 0.38
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
MMP8 P22894 3/20 0.34
MMP3 P08254 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
KIF11 P52732 1/20 0.32
PIK3CA P42336 1/20 0.32
CHRM5 P08912 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4140050 0.90 USP30 (0.47) MCHR1KCNH2USP30CASP3DRD3
SCHEMBL4128188 0.83 KCNH2 (0.39) KCNH2DRD2DRD3
SCHEMBL4141846 0.81 DRD2 (0.35) MCHR1KCNH2USP30DRD2DRD3
SCHEMBL4136050 0.79 CASP3 (0.39) KCNH2CASP3DRD2DRD3
SCHEMBL4141749 0.78 MLNR (0.37) DRD2DRD3
SCHEMBL4130700 0.78 ALDH1A1 (0.39) DRD2DRD3
SCHEMBL4128738 0.77 USP30 (0.36) KCNH2USP30DRD2DRD3
SCHEMBL4141105 0.74 CCNT1 (0.46) MCHR1KCNH2CCNT1CDK9
SCHEMBL4136323 0.74 IDH1 (0.39) MCHR1KCNH2USP30CCNT1CDK9
SCHEMBL4130503 0.74 KCNH2 (0.35) KCNH2DRD2DRD3PIK3CA

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 MCHR1 287/4885KCNH2 657/4885USP30 3191/4885

“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.