SCHEMBL7098423

SCHEMBL7098423

CC(C)(C)OC(=O)NCC12CCCCC1CNC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HCRTR2 O43614 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GFER P55789 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 2/20 0.32
BTK Q06187 1/20 0.32
P2RX7 Q99572 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL14432052 0.96 EPHX1 (0.39) EPHX1SLC6A2SLC6A4SLC6A3HCRTR2
Hydrochloric Acid SCHEMBL22389973 0.95 EPHX1 (0.38) EPHX1SLC6A2SLC6A4SLC6A3HCRTR2
SCHEMBL8383866 0.91 HCRTR2 (0.38) EPHX1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL4505641 0.83 HCRTR2 (0.40) EPHX1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL22532010 0.81 HCRTR2 (0.42) EPHX1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL6506626 0.80 EPHX1 (0.45) EPHX1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL8926365 0.78 HCRTR2 (0.41) EPHX1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL9873266 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1IRAK4
SCHEMBL9873273 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1IRAK4
SCHEMBL2670305 0.75 PSEN1 (0.40) EPHX1SLC6A2SLC6A4SLC6A3MEN1

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
US-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-11 US disclosed
EP-3935049-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS Merck Patent GmbH (DE) 2022-01-12 EP disclosed
CN-113795483-A Carboxamide-pyrimidine derivatives as SHP2 antagonists 默克专利有限公司 2021-12-14 CN disclosed
US-11033547-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-06-15 US disclosed
US-20200281926-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-09-10 US disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 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 (4 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 EPHX1 3869/4885SLC6A2 2019/4885SLC6A4 1994/4885
US-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists PTPN5, PTPN2, PTPN1 EPHX1 2104/4885SLC6A2 4629/4885SLC6A4 4485/4885
US-11033547-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists PTPN5, PTPN2, PTPN1 EPHX1 2104/4885SLC6A2 4629/4885SLC6A4 4485/4885
US-20200281926-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN2, PTPN1 EPHX1 2104/4885SLC6A2 4629/4885SLC6A4 4485/4885

“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.