SCHEMBL20530668

SCHEMBL20530668

COC(=O)c1cccc(-c2ccccc2CN(C(=O)OC)C2c3ccccc3-c3ccccc32)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK10 P53779 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL2868793 0.77 CYP2D6 (0.44) SLC6A3SLC6A4SLC6A2CYP2D6TSHR
SCHEMBL28330790 0.74 SLC6A2 (0.50) SLC6A3SLC6A4SLC6A2CYP2D6LMNA
SCHEMBL19923176 0.74 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2CYP2D6MAPK10
SCHEMBL3064761 0.73 LOXL2 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL20530669 0.72 KMT2A (0.45) SLC6A3SLC6A4KMT2AADORA2APPIA
SCHEMBL20530664 0.72 RBP4 (0.42) SLC6A3SLC6A4SLC6A2CYP2D6MRGPRX4
SCHEMBL1760520 0.71 GPR3 (0.40) SLC6A3SLC6A4SLC6A2CYP2D6TSHR
SCHEMBL27549930 0.70 GPR3 (0.42) SLC6A3SLC6A4SLC6A2CYP2D6TSHR
SCHEMBL3060295 0.70 GPR3 (0.34) SLC6A3SLC6A4SLC6A2CYP2D6MEN1
SCHEMBL4600049 0.69 GPR3 (0.41) SLC6A3SLC6A4SLC6A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609905-B1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
US-11091514-B2 Peptide macrocycles and use thereof in the treatment of bacterial infections HOFFMANN-LA ROCHE INC. (US) 2021-08-17 US disclosed
EP-3609905-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS H. Hoffnabb-La Roche Ag (CH) 2020-02-19 EP disclosed
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 2020-02-06 US disclosed
WO-2018189063-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2018-10-18 WO disclosed
EP-3388445-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2018-10-17 EP 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 (2 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-11091514-B2 Peptide macrocycles and use thereof in the treatment of bacterial infections VIP, NPY5R, CXCR3 SLC6A3 4212/4885SLC6A4 4519/4885SLC6A2 4285/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 SLC6A3 4212/4885SLC6A4 4519/4885SLC6A2 4285/4885

“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.