SCHEMBL25568563

SCHEMBL25568563

C[C@]1(N)CC[C@H](CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
TGM2 P21980 2/20 0.49
F13A1 P00488 1/20 0.49
TGM1 P22735 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45

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
SCHEMBL30429139 0.89 CYP1A2 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14669158 0.86 MEN1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8393648 0.85 LMNA (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29629105 0.85 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8029231 0.83 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2ATGM2
SCHEMBL8395084 0.83 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25568203 0.82 TSHR (0.64) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL25568201 0.82 TSHR (0.64) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL14009946 0.82 LMNA (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3947244 0.82 LMNA (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed
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 4179/4885CYP1A2 2196/4885CYP3A4 3234/4885

“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.