SCHEMBL25568142

SCHEMBL25568142

CC(C)(C)OC(=O)NC[C@]1(O)CC[C@H](C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.42
EPHX1 P07099 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.36
DRD2 P14416 2/20 0.36
MAPK1 P28482 1/20 0.36
APLNR P35414 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
GFER P55789 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 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
SCHEMBL25568141 1.00 HCRTR2 (0.42) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL15497076 0.87 HCRTR2 (0.44) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL25568145 0.86 HCRTR2 (0.41) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL28519612 0.83 HCRTR2 (0.43) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL21605550 0.82 HCRTR2 (0.39) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL21607412 0.82 HCRTR2 (0.39) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL89465 0.82 EPHX1 (0.44) HCRTR2EPHX1MEN1KMT2ATDP1
SCHEMBL21605621 0.81 HCRTR2 (0.38) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL21605705 0.81 HCRTR2 (0.38) HCRTR2EPHX1MEN1KMT2AALDH1A1
SCHEMBL12905008 0.79 HCRTR2 (0.40) HCRTR2EPHX1MEN1KMT2AALDH1A1

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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM HCRTR2 4125/4885EPHX1 3523/4885MEN1 77/4885

“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.