SCHEMBL21049883

SCHEMBL21049883

CC1(C)OB(c2cnn(Cc3cccc(OCCCN)c3)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FFAR1 O14842 1/20 0.42
TAS2R8 Q9NYW2 7/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
DGAT1 O75907 1/20 0.36
KLKB1 P03952 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
DHFR P00374 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
SCHEMBL15599462 0.91 LPL (0.46) MEN1KMT2AFFAR1TAS2R8LPL
SCHEMBL21049901 0.86 MEN1 (0.44) MEN1KMT2AFFAR1TAS2R8LPL
SCHEMBL21089621 0.85 MEN1 (0.46) MEN1KMT2AFFAR1TAS2R8LPL
SCHEMBL29801489 0.85 DGAT1 (0.52) MEN1KMT2AFFAR1ALDH1A1DGAT1
SCHEMBL14858471 0.85 DGAT1 (0.52) MEN1KMT2AFFAR1ALDH1A1DGAT1
SCHEMBL14858045 0.85 MEN1 (0.60) MEN1KMT2AFFAR1TAS2R8ALDH1A1
SCHEMBL29801659 0.85 MEN1 (0.60) MEN1KMT2AFFAR1TAS2R8ALDH1A1
SCHEMBL16968989 0.81 FFAR1 (0.46) MEN1KMT2AFFAR1KLKB1
SCHEMBL21049914 0.81 FFAR1 (0.41) MEN1KMT2AFFAR1TAS2R8LIPG
SCHEMBL21049930 0.80 MEN1 (0.45) MEN1KMT2AFFAR1TAS2R8LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689661-B Macrocyclic inhibitors of myeloperoxidase 百时美施贵宝公司 2021-10-15 CN disclosed
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 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 (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-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MEN1 4596/4885KMT2A 3392/4885FFAR1 2438/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MEN1 4596/4885KMT2A 3392/4885FFAR1 2438/4885

“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.