SCHEMBL4523488

SCHEMBL4523488

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
PRMT5 O14744 10/20 0.40
WDR77 Q9BQA1 10/20 0.40
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
CTSS P25774 1/20 0.34
CYP3A4 P08684 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
SCHEMBL4523482 1.00 HRH3 (0.46) HRH3PRMT5WDR77SIGMAR1MEN1
SCHEMBL4537456 0.94 HRH3 (0.41) HRH3PRMT5WDR77MEN1KMT2A
SCHEMBL4537453 0.94 HRH3 (0.41) HRH3PRMT5WDR77MEN1KMT2A
SCHEMBL4522700 0.86 HRH3 (0.41) HRH3PRMT5WDR77MEN1KMT2A
SCHEMBL4522695 0.86 HRH3 (0.41) HRH3PRMT5WDR77MEN1KMT2A
SCHEMBL4533844 0.85 HRH3 (0.38) HRH3MEN1KMT2ACTSS
SCHEMBL4533839 0.85 HRH3 (0.38) HRH3MEN1KMT2ACTSS
SCHEMBL4528342 0.84 CTSS (0.42) PRMT5WDR77MEN1KMT2ACTSS
SCHEMBL4528343 0.84 CTSS (0.42) PRMT5WDR77MEN1KMT2ACTSS
SCHEMBL4530187 0.84 NPC1 (0.49) PRMT5WDR77MEN1KMT2A

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 589/4885PRMT5 3854/4885WDR77 2843/4885

“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.