SCHEMBL3813845

SCHEMBL3813845

CCN(C(=O)OC(C)(C)C)C1CNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CCR5 P51681 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SLC6A2 P23975 10/20 0.34
SLC6A4 P31645 10/20 0.34
SLC6A3 Q01959 8/20 0.34
REN P00797 1/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2D6 P10635 4/20 0.32
CHRM3 P20309 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL4853479 0.87 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL2555618 0.87 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL20905448 0.87 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1468568 0.85 SLC6A4 (0.41) CCR5SLC6A2SLC6A4SLC6A3REN
SCHEMBL15357982 0.85 SLC6A4 (0.41) CCR5SLC6A2SLC6A4SLC6A3REN
SCHEMBL1468567 0.85 SLC6A4 (0.41) CCR5SLC6A2SLC6A4SLC6A3REN
SCHEMBL3824368 0.84 CCR5 (0.42) NFKB1NFKB2RELACCR5HDAC6
SCHEMBL1871691 0.83 CCR5 (0.39) NFKB1NFKB2RELACCR5SLC6A2
SCHEMBL2822608 0.83 HDAC6 (0.33) NFKB1NFKB2RELAHDAC6HDAC1
SCHEMBL31210582 0.83 NFKB1 (0.33) NFKB1NFKB2RELACCR5HDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026085629-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2026-04-30 WO disclosed
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-01 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-8278311-B2 Substituted pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
WO-2009134726-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-11-05 WO disclosed
US-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-29 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 (3 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-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS NFKB1 3571/4885NFKB2 4694/4885RELA 4758/4885
US-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS NFKB1 2295/4885NFKB2 2531/4885RELA 1327/4885
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HRH2 NFKB1 3408/4885NFKB2 2538/4885RELA 2196/4885

“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.