SCHEMBL25568569

SCHEMBL25568569

CC[C@H]1CC[C@@](C)(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.36
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
KDM1A O60341 1/20 0.30
MAOB P27338 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
SCHEMBL25568576 1.00 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EGAAHPGD
SCHEMBL19525730 1.00 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EGAAHPGD
SCHEMBL24731320 0.91 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EGAAHPGD
SCHEMBL25779493 0.81 CYP1A2 (0.37) ALDH1A1TDP1KDM4EGAAHPGD
SCHEMBL21701429 0.81 CYP1A2 (0.37) ALDH1A1TDP1KDM4EGAAHPGD
SCHEMBL18781636 0.81 ALDH1A1 (0.34) ALDH1A1TDP1KDM4EGAAHPGD
SCHEMBL25779438 0.81 CYP1A2 (0.37) ALDH1A1TDP1KDM4EGAAHPGD
SCHEMBL8780315 0.81 KDM4E (0.47) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL134119 0.81 ALDH1A1 (0.46) ALDH1A1TDP1KDM1AMAOB
SCHEMBL1933555 0.79 ALDH1A1 (0.44) ALDH1A1TDP1KDM1AMAOB

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 ALDH1A1 4179/4885TDP1 3270/4885KDM4E 4015/4885

“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.