SCHEMBL4522700

SCHEMBL4522700

CN(C)C(=O)N1CCc2c(cnn2C[C@H](O)CN2CCCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 5/20 0.35
HSP90AA1 P07900 2/20 0.35
HSD17B10 Q99714 1/20 0.34
ABCB1 P08183 2/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4522695 1.00 HRH3 (0.41) HRH3MEN1KMT2ACTSSHSP90AA1
SCHEMBL4533839 0.90 HRH3 (0.38) HRH3MEN1KMT2ACTSSHSP90AA1
SCHEMBL4533844 0.90 HRH3 (0.38) HRH3MEN1KMT2ACTSSHSP90AA1
SCHEMBL4523482 0.86 HRH3 (0.46) HRH3MEN1KMT2ACTSSPRMT5
SCHEMBL4523488 0.86 HRH3 (0.46) HRH3MEN1KMT2ACTSSPRMT5
SCHEMBL4528342 0.85 CTSS (0.42) MEN1KMT2ACTSSHSD17B10PRMT5
SCHEMBL4528343 0.85 CTSS (0.42) MEN1KMT2ACTSSHSD17B10PRMT5
SCHEMBL4537453 0.84 HRH3 (0.41) HRH3MEN1KMT2APRMT5WDR77
SCHEMBL4537456 0.84 HRH3 (0.41) HRH3MEN1KMT2APRMT5WDR77
SCHEMBL4531590 0.80 CTSS (0.38) MEN1KMT2ACTSSALDH1A1

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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK HRH3 589/4885MEN1 4868/4885KMT2A 4175/4885

“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.