SCHEMBL21534048

SCHEMBL21534048

CC(C)c1cn(CCC(C)(C)C)nn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
DPP4 P27487 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL20812265 0.87 SMPD1 (0.38) HRH4HRH3
SCHEMBL19245529 0.83
SCHEMBL24974723 0.81 ADORA2A (0.31)
SCHEMBL25905299 0.80
SCHEMBL13453642 0.79 SMPD1 (0.41) HRH4HRH3
SCHEMBL19400545 0.79 HRH4 (0.35) HRH4HRH3
SCHEMBL12364362 0.78 HRH4 (0.35) HRH4HRH3DPP4
SCHEMBL18089449 0.78 HRH4 (0.35) HRH4HRH3DPP4
SCHEMBL17615109 0.78 NAMPT (0.36) HRH4HRH3DPP4
SCHEMBL19086059 0.78 NTRK1 (0.37) HRH4HRH3

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-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 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-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD HRH4 2857/4885HRH3 2098/4885DPP4 796/4885

“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.