SCHEMBL3209101

SCHEMBL3209101

CC(C)(C)OC(=O)N1CCN(Cc2cc(C3CCCCC3)nc(N)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
HTT P42858 2/20 0.41
TLR8 Q9NR97 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL3197606 0.81 HRH4 (0.61) SMARCA2SMARCA4PBRM1
SCHEMBL3197458 0.76 SMARCA2 (0.49) ALDH1A1KDM4EMEN1CRHBPKMT2A
SCHEMBL3203004 0.76 SMARCA2 (0.49) ALDH1A1KDM4EMEN1CRHBPKMT2A
SCHEMBL3199867 0.75 KDM4E (0.41) ALDH1A1KDM4EMEN1CRHBPKMT2A
SCHEMBL3190194 0.74 HRH4 (0.61)
SCHEMBL465791 0.74 CHRM2 (0.47) ALDH1A1KDM4ETBK1SMARCA2SMARCA4
SCHEMBL3205715 0.73 KDM4E (0.41) ALDH1A1KDM4EMEN1CRHBPKMT2A
SCHEMBL3196138 0.73 USP30 (0.43) ALDH1A1KDM4EMEN1CRHBPKMT2A
SCHEMBL4285303 0.73 TBK1 (0.47) ALDH1A1KDM4ETBK1CHRM2CHRM4
SCHEMBL18291473 0.72 CHRM2 (0.46) ALDH1A1KDM4EMEN1KMT2ATBK1

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 3 patents. 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
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO 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 ALDH1A1 1862/4885KDM4E 1873/4885MEN1 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.