SCHEMBL4286655

SCHEMBL4286655

O=C(O)Cc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.67
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.57
MMP12 P39900 1/20 0.55
PKM P14618 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
NR3C2 P08235 2/20 0.53
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.50

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
SCHEMBL20424472 0.88 DRD4 (0.55) PARP1ALDH1A1MAPTDRD2DRD4
SCHEMBL4295364 0.87 PARP1 (0.65) PARP1ALDH1A1MAPTMMP12PKM
SCHEMBL10923540 0.87 PARP1 (0.69) PARP1ALDH1A1MAPTMMP12PKM
SCHEMBL16421393 0.87 PARP1 (0.65) PARP1ALDH1A1MAPTMMP12PKM
SCHEMBL3087984 0.83 PARP1 (0.64) PARP1ALDH1A1MAPTMMP12PKM
SCHEMBL10642401 0.83 PARP1 (0.60) PARP1ALDH1A1MAPTMMP12PKM
SCHEMBL9130576 0.83 PARP1 (0.60) PARP1ALDH1A1MAPTMMP12PKM
SCHEMBL554735 0.83 PARP1 (0.72) PARP1ALDH1A1MAPTMMP12PKM
SCHEMBL11002313 0.83 PARP1 (0.77) PARP1ALDH1A1MAPTMMP12DRD2
SCHEMBL4767159 0.82 PARP1 (0.59) PARP1ALDH1A1MAPTMMP12PKM

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
CN-116554050-A Amide phenol derivative and application thereof 四川大学 2023-08-08 CN disclosed
CN-114874201-B Pan-KRAS inhibitor and preparation and application thereof 思路迪生物医药(上海)有限公司 2023-01-20 CN disclosed
CN-114874201-A Pan-KRAS inhibitor and preparation and application thereof 思路迪生物医药(上海)有限公司 2022-08-09 CN disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 US disclosed
EP-2822928-B1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr Reddys Laboratories Ltd (IN) 2018-11-14 EP disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 WO disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP disclosed
EP-0411751-A1 Renin inhibitory peptides Beecham Group p.l.c. (GB) 1991-02-06 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 (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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G PARP1 1951/4885ALDH1A1 3435/4885MAPT 1301/4885
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB PARP1 3700/4885ALDH1A1 118/4885MAPT 3199/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 PARP1 699/4885ALDH1A1 1569/4885MAPT 4420/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PARP1 4875/4885ALDH1A1 2708/4885MAPT 4442/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 PARP1 320/4885ALDH1A1 280/4885MAPT 3061/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 PARP1 2215/4885ALDH1A1 786/4885MAPT 3911/4885

“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.