SCHEMBL3205715

SCHEMBL3205715

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2Nc1cc(C2CCCC2)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HRH4 Q9H3N8 9/20 0.39
PIK3CA P42336 3/20 0.38
SSTR4 P31391 1/20 0.37
HPGD P15428 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3199867 0.99 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ACRHBP
SCHEMBL3199886 0.84 HRH4 (0.42) HRH4
SCHEMBL3199901 0.84 HRH4 (0.42) HRH4
SCHEMBL3199890 0.84 HRH4 (0.42) HRH4
SCHEMBL3190287 0.83 BACE1 (0.38) PIK3CASSTR4EHMT2
SCHEMBL3204314 0.83 HRH4 (0.41) HRH4
SCHEMBL3204328 0.83 HRH4 (0.41) HRH4
SCHEMBL3204307 0.83 HRH4 (0.41) HRH4
SCHEMBL3197606 0.77 HRH4 (0.61) HRH4DDB1CRBN
SCHEMBL3190194 0.76 HRH4 (0.61) HRH4

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 KDM4E 1873/4885ALDH1A1 1862/4885MEN1 4642/4885

“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.