SCHEMBL476885

SCHEMBL476885

O=C(O)N(Cc1ccccc1)[C@H]1CCNC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.60
SLC6A4 P31645 17/20 0.60
KCNH2 Q12809 3/20 0.60
SLC6A3 Q01959 11/20 0.59
CTSD P07339 1/20 0.57
CYP2D6 P10635 4/20 0.54
CHRM3 P20309 1/20 0.52

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
SCHEMBL18342235 1.00 SLC6A2 (0.60) SLC6A2SLC6A4KCNH2SLC6A3CTSD
SCHEMBL476886 1.00 SLC6A2 (0.60) SLC6A2SLC6A4KCNH2SLC6A3CTSD
Oxalic Acid SCHEMBL1624804 0.97 SLC6A2 (0.57) SLC6A2SLC6A4KCNH2SLC6A3CTSD
SCHEMBL5143426 0.91 CTSD (0.55) SLC6A2SLC6A4KCNH2SLC6A3CTSD
SCHEMBL1623585 0.91 CTSD (0.55) SLC6A2SLC6A4KCNH2SLC6A3CTSD
SCHEMBL2727813 0.91 CTSD (0.55) SLC6A2SLC6A4KCNH2SLC6A3CTSD
SCHEMBL3811903 0.90 DCUN1D1 (0.58) SLC6A2SLC6A4KCNH2SLC6A3CTSD
SCHEMBL4132155 0.90 SLC6A2 (0.60) SLC6A2SLC6A4KCNH2SLC6A3CTSD
Hydrochloric Acid SCHEMBL21410210 0.89 DCUN1D1 (0.57) SLC6A2SLC6A4KCNH2SLC6A3CTSD
SCHEMBL1624807 0.87 SLC6A2 (0.55) SLC6A2SLC6A4KCNH2SLC6A3CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030557-B1 A NOVEL PHTALAZINONE DERIVATIVES AND MANUFACTURING PROCESS THEREOF IDIENCE CO LTD (KR) 2023-05-31 EP disclosed
US-RE49338-E1 Phthalazinone derivatives and manufacturing process thereof IDIENCE CO., LTD. (KR) 2022-12-20 US disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
EP-3313832-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
US-9844550-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-12-19 US disclosed
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2017-06-29 US disclosed
US-9682973-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-06-20 US disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
US-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2016-08-04 US disclosed
EP-2411010-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD K.K. (JP) 2012-02-01 EP disclosed
WO-2010111050-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 WO 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 (6 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-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, PARP1 SLC6A2 4664/4885SLC6A4 4250/4885KCNH2 4100/4885
US-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 SLC6A2 1115/4885SLC6A4 2205/4885KCNH2 1706/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 SLC6A2 1100/4885SLC6A4 2190/4885KCNH2 1603/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 SLC6A2 1115/4885SLC6A4 2205/4885KCNH2 1706/4885
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, NUDT5 SLC6A2 4431/4885SLC6A4 3692/4885KCNH2 2825/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 SLC6A2 1100/4885SLC6A4 2190/4885KCNH2 1603/4885

“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.