SCHEMBL3718145

SCHEMBL3718145

CCOC(=O)C(Cc1c(F)cccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 8/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.42
MAPT P10636 5/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL8009396 0.95 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAAKMT2AMAPT
SCHEMBL27675955 0.86 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAAMAPTCRHBP
SCHEMBL5736978 0.84 KMT2A (0.50) L3MBTL1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL13150211 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1GAAKMT2AMAPT
SCHEMBL18698095 0.82 L3MBTL1 (0.44) L3MBTL1ALDH1A1GAAKMT2AMAPT
SCHEMBL3718147 0.81 FBP1 (0.38) L3MBTL1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL5696593 0.79 MAPT (0.43) ALDH1A1GAAKMT2AMAPTSMN1; SMN2
SCHEMBL5737042 0.79 KMT2A (0.48) L3MBTL1ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL1715464 0.78 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL30619954 0.78 L3MBTL1 (0.56) L3MBTL1ALDH1A1GAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-27 US disclosed
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117157072-A Novel cyclopento [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-12-01 CN disclosed
WO-2022204336-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 WO disclosed
EP-3212630-B1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-05-18 EP disclosed
CN-106349241-B Triazole derivative with HSP90 inhibitory activity and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-04-21 CN disclosed
EP-3212631-B1 PYRAZOLYL-3,4-DIHYDROQUINOLIN-2-ONE ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2020-02-12 EP disclosed
EP-3212638-B1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9796702-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
WO-2012148808-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-01 WO disclosed
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 WO disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
EP-1499606-B8 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER (US) 2006-08-30 EP disclosed
EP-1673367-A1 FUSED LACTAM COMPOUNDS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035523-A1 FUSED LACTAM COMPOUNDS PFIZER JAPAN INC. (JP) 2005-04-21 WO disclosed
EP-1499606-A1 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2005-01-26 EP disclosed
US-6713490-B2 6-(2-(4-(3-FLUOROPHENYL)-4-HYDROXY-1-PIPERIDINYL)-1-HYDROXY -ETHYL)-3,4-DIHYDRO-2(1H)-QUINOLINONE; REDUCED INHIBITORY ACTIVITY AT HERG (HUMAN ETHER-A-GO-GO RELATED GENE) POTASSIUM CHANNEL PFIZER, INC. 2004-03-30 US disclosed
US-20030216430-A1 3, 4-dihydroquinolin-2(1H)-one compounds as NR2B receptor antagonists KAWAMURA MITSUHIRO (JP) 2003-11-20 US disclosed
WO-2003091241-A1 3, 4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2003-11-06 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 (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-20030216430-A1 3, 4-dihydroquinolin-2(1H)-one compounds as NR2B receptor antagonists GRIN3B, GRIN1, GRIN2A L3MBTL1 4015/4885ALDH1A1 1251/4885GAA 1733/4885
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A L3MBTL1 4843/4885ALDH1A1 3460/4885GAA 2568/4885

“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.