SCHEMBL25573148

SCHEMBL25573148

C=CC[C@]1(C(=O)O)C[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
NPSR1 Q6W5P4 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
CCR5 P51681 1/20 0.35
GAA P10253 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.33
CTSD P07339 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL25699414 1.00 DPP8 (0.38) DPP8DPP7NPSR1TDP1KDM4E
SCHEMBL25573149 0.86 CCR5 (0.37) DPP8DPP7NPSR1TDP1KDM4E
SCHEMBL25573147 0.86 CCR5 (0.37) DPP8DPP7NPSR1TDP1KDM4E
SCHEMBL1543700 0.78 KDM4E (0.41) DPP8DPP7NPSR1TDP1KDM4E
SCHEMBL25573150 0.78 SLC6A2 (0.38) NPSR1TDP1KDM4EATMYTHDC1
SCHEMBL25573006 0.76 ALDH1A1 (0.36) DPP8DPP7NPSR1TDP1KDM4E
SCHEMBL25573152 0.75 DCUN1D1 (0.38) DPP8DPP7MEN1KMT2AALDH1A1
SCHEMBL25572115 0.75 NPSR1 (0.44) DPP8DPP7NPSR1TDP1KDM4E
SCHEMBL1965677 0.71 CCR5 (0.46) DPP8DPP7NPSR1TDP1KDM4E
SCHEMBL31629952 0.71 CCR5 (0.46) DPP8DPP7NPSR1TDP1KDM4E

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 DPP8 2986/4885DPP7 3839/4885NPSR1 2104/4885

“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.