SCHEMBL25568401

SCHEMBL25568401

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
ALOX5 P09917 1/20 0.34
NR1H2 P55055 1/20 0.33
LIMK2 P53671 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
SPR P35270 1/20 0.32
PTGIR P43119 1/20 0.32
ACHE P22303 1/20 0.31
ASGR1 P07306 1/20 0.31
HTR2A P28223 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL25568399 1.00 CNR2 (0.34) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL15017085 0.92 CNR2 (0.38) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL30157292 0.87 PLG (0.38) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL25568400 0.85 NR1H2 (0.36) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL6019337 0.85 NR1H2 (0.43) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL6019334 0.85 NR1H2 (0.43) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL25568402 0.85 NR1H2 (0.36) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL24438464 0.85 ALOX5 (0.39) CNR2ALOX5LIMK2HTR2CSLC6A4
SCHEMBL7409512 0.84 ALOX5 (0.36) CNR2ALOX5NR1H2LIMK2KMT2A
SCHEMBL20176953 0.84 CNR2 (0.34) CNR2ALOX5NR1H2LIMK2KMT2A

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 CNR2 2237/4885ALOX5 2482/4885NR1H2 2761/4885

“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.