SCHEMBL3205433

SCHEMBL3205433

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](C(=O)NC2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 2/20 0.33
EPHX2 P34913 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
DPP4 P27487 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
SCHEMBL3205445 1.00 POLB (0.43) POLBMAPK1ALDH1A1L3MBTL1LMNA
SCHEMBL3207866 0.83 POLB (0.35) POLBALDH1A1HTT
SCHEMBL17085684 0.83 ATM (0.37) POLBALDH1A1EPHX2
SCHEMBL3207877 0.83 POLB (0.35) POLBALDH1A1HTT
SCHEMBL17085683 0.83 ATM (0.37) POLBALDH1A1EPHX2
SCHEMBL23549818 0.82 POLB (0.34) POLBHTT
SCHEMBL3195926 0.82 LMNA (0.38) POLBALDH1A1L3MBTL1LMNAPKM
SCHEMBL3195912 0.82 LMNA (0.38) POLBALDH1A1L3MBTL1LMNAPKM
SCHEMBL23549817 0.82 POLB (0.34) POLBHTT
SCHEMBL1700257 0.81 EPHX1 (0.30)

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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 POLB 2713/4885MAPK1 4118/4885ALDH1A1 1862/4885

“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.