SCHEMBL1844719

SCHEMBL1844719

CCN(CC)C(=O)c1ccc(OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.67
OPRD1 P41143 3/20 0.67
HPGD P15428 4/20 0.65
LMNA P02545 2/20 0.65
TSHR P16473 1/20 0.65
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
CYP1A2 P05177 1/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
BLM P54132 1/20 0.58
MLYCD O95822 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53

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
SCHEMBL6308636 0.95 HPGD (0.67) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL7536536 0.90 OPRM1 (0.57) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL11757402 0.88 OPRM1 (0.56) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL11213030 0.88 OPRM1 (0.56) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL29172958 0.87 OPRM1 (0.54) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL10144056 0.87 HPGD (0.64) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL5703500 0.85 HPGD (0.73) HPGDLMNAALDH1A1MAPTNPC1
SCHEMBL1495914 0.85 MEN1 (0.79) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL11214776 0.85 CES2 (0.55) OPRM1OPRD1HPGDLMNATSHR
SCHEMBL4472661 0.83 NPC1 (0.82) HPGDLMNAALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118479977-A Method for preparing amide from tertiary amine 云南民族大学 2024-08-13 CN disclosed
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8168833-B2 Schwartz reagents: methods of in situ generation and use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-05-01 US disclosed
CN-102186812-A Methods for preparing fluoroalkyl arylsulfinyl compounds and fluorinated compounds thereto UBE INDUSTRIES 2011-09-14 CN disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
CN-1147298-C Prevention and curing agent for c attenuation living vaccine 卫材株式会社 2004-04-28 CN disclosed
US-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 US disclosed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
CN-1137895-A Prevention and curing agent for c attenuation living vaccine EISAI CO LTD (JP) 1996-12-18 CN disclosed
US-5466701-A Degenerative diseases STERLING WINTHROP INC. (US) 1995-11-14 US disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed
US-5378720-A Treatment of rheumatoid arthritis, emphysema, pancreatitis STERLING WINTHROP INC. (US) 1995-01-03 US disclosed
EP-0626378-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-11-30 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 (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-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 OPRM1 1676/4885OPRD1 1196/4885HPGD 802/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS OPRM1 3845/4885OPRD1 4375/4885HPGD 3306/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 OPRM1 177/4885OPRD1 221/4885HPGD 877/4885

“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.