SCHEMBL25573147

SCHEMBL25573147

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
ADAM17 P78536 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL25573149 1.00 CCR5 (0.37) CCR5CYP3A4TSHRALDH1A1MEN1
SCHEMBL25699414 0.86 DPP8 (0.38) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25573148 0.86 DPP8 (0.38) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25568266 0.85 MAPT (0.40) CCR5CYP3A4TSHRALDH1A1MEN1
SCHEMBL25568263 0.85 MAPT (0.40) CCR5CYP3A4TSHRALDH1A1MEN1
SCHEMBL25568262 0.85 MAPT (0.40) CCR5CYP3A4TSHRALDH1A1MEN1
SCHEMBL25568267 0.85 MAPT (0.42) CCR5CYP3A4TSHRALDH1A1MEN1
SCHEMBL25568264 0.84 SLC6A2 (0.39) CCR5CYP3A4TSHRALDH1A1MEN1
SCHEMBL20690478 0.79 CCR5 (0.43) CCR5CYP3A4TSHRALDH1A1MEN1
SCHEMBL25568265 0.78 MYC (0.38) CCR5CYP3A4TSHRALDH1A1MEN1

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 CCR5 993/4885CYP3A4 3234/4885TSHR 2685/4885

“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.