SCHEMBL9215328

SCHEMBL9215328

O=C(O)NCCC(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
F2R P25116 5/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
EPHX2 P34913 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CHKA P35790 1/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37

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
SCHEMBL4040370 0.84 TPSAB1 (0.40) ITGB3ITGA2BF2RTPSAB1TPSD1
SCHEMBL4326749 0.82 ATM (0.50) ITGB3ITGA2BF2R
SCHEMBL2681365 0.82 ATM (0.56)
SCHEMBL2836486 0.81 ATM (0.54) ITGB3ITGA2BF2RGAA
SCHEMBL13387648 0.81 TPSAB1 (0.42) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL19309525 0.81 ITGB3 (0.41) ITGB3ITGA2BF2RTPSAB1TPSD1
SCHEMBL12352492 0.79 TPSAB1 (0.41) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL17994013 0.78 KDM4E (0.63) ITGB3ITGA2B
SCHEMBL23142621 0.78 KDM4E (0.46) ITGB3ITGA2BF2R
SCHEMBL2597875 0.78 POLB (0.51) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 US disclosed
EP-3654968-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme Corp. (US) 2020-05-27 EP disclosed
WO-2019018186-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 WO disclosed
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 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 (3 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-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MLX, MMP12, SLC11A2 ITGB3 3763/4885ITGA2B 3357/4885F2R 1078/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ITGB3 2322/4885ITGA2B 3133/4885F2R 4074/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 ITGB3 3763/4885ITGA2B 3357/4885F2R 1078/4885

“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.