SCHEMBL1803803

SCHEMBL1803803

CCC1(CC)CC(=O)CC(C)(C)N1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8823121 0.86 LMNA (0.41) KDM4ELMNACYP2C19SMN1; SMN2NPSR1
SCHEMBL1802898 0.83 SMN1; SMN2 (0.36) KDM4ELMNACYP2C19SMN1; SMN2NPSR1
SCHEMBL1802875 0.80 HSD17B10 (0.42) KDM4ELMNACYP2C19SMN1; SMN2
SCHEMBL4803750 0.78 KDM4E (0.40) KDM4ELMNACYP2C19SMN1; SMN2NPSR1
SCHEMBL38953 0.78 SMN1; SMN2 (0.56) KDM4ELMNACYP2C19SMN1; SMN2NPSR1
SCHEMBL4124849 0.78 SMN1; SMN2 (0.35) SMN1; SMN2
Water SCHEMBL7733637 0.76 SMN1; SMN2 (0.54) KDM4ELMNACYP2C19SMN1; SMN2NPSR1
Iodide SCHEMBL11830139 0.76 SMN1; SMN2 (0.54) KDM4ELMNACYP2C19SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL20704047 0.76 SMN1; SMN2 (0.54) KDM4ELMNACYP2C19SMN1; SMN2NPSR1
SCHEMBL29829697 0.76 SMN1; SMN2 (0.54) KDM4ELMNACYP2C19SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173439-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-30 US disclosed
CN-116940554-A Fluorine-containing compound and contrast agent TDK株式会社 2023-10-24 CN disclosed
WO-2022196621-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK株式会社 2022-09-22 WO disclosed
EP-2143828-B1 Electrolyte and method for the deposition of a matt metal layer ENTHONE (US) 2016-12-28 EP disclosed
WO-2011052759-A1 NOVEL NITROXYL RADICAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF 国立大学法人九州大学 (JP) 2011-05-05 WO disclosed
US-7868171-B2 N-alkoxy-4, 4-dioxy-polyalkyl-piperidines as radical polymerization initiators CIBA SPECIALTY CHEMICALS CORP. (US) 2011-01-11 US disclosed
US-7868171-B2 N-alkoxy-4, 4-dioxy-polyalkyl-piperidines as radical polymerization initiators CIBA SPECIALTY CHEMICALS CORP. (US) 2011-01-11 US disclosed
EP-1397349-B1 4-IMINO-N-ALKOXY OR OXY-POLYALKYL-PIPERIDINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS BASF SE (DE) 2010-12-15 EP disclosed
EP-2143828-A1 Electrolyte and method for the deposition of a matt metal layer Enthone, Inc. (US) 2010-01-13 EP disclosed
US-7572869-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2009-08-11 US disclosed
US-20040176553-A1 4-Imino-n-alkoxy or oxy-polyalkyl-piperidine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORP. 2004-09-09 US disclosed
EP-1397349-A1 4-IMINO-N-ALKOXY OR OXY-POLYALKYL-PIPERIDINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS Ciba SC Holding AG (CH) 2004-03-17 EP disclosed
US-6683142-B2 PROVIDE POLYMERIC RESIN PRODUCTS HAVING LOW POLYDISPERSITY. CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-27 US disclosed
US-20030220423-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators KRAMER ANDREAS (CH) 2003-11-27 US disclosed
WO-2002100831-A1 4-IMINO-N-ALKOXY OR OXY-POLYALKYL-PIPERIDINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-12-19 WO disclosed
US-20020107397-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators KRAMER ANDREAS (CH) 2002-08-08 US disclosed
US-6353107-B1 FREE RADICAL CATALYSTS FOR ADDITION POLYMERIZATION; NARROW MOLECULAR WEIGHT DISTRIBUTION; HIGH PURITY AND COLORLESS CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-05 US disclosed
EP-0838519-B1 Water-softening and detergent compositions UNILEVER PLC (GB) 2000-03-08 EP disclosed
EP-0972824-A2 Water-softening and detergent compositions UNILEVER PLC (GB) 2000-01-19 EP disclosed
EP-0838519-A1 Water-softening and detergent compositions UNILEVER PLC (GB) 1998-04-29 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 (4 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-20020107397-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CBR1, PYM1, ELOC KDM4E 2651/4885LMNA 156/4885CYP2C19 1389/4885
US-20240173439-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 KDM4E 4076/4885LMNA 2394/4885CYP2C19 2773/4885
US-20040176553-A1 4-Imino-n-alkoxy or oxy-polyalkyl-piperidine compounds and their use as polymerization regulators PTGER4, PNMT, OPRM1 KDM4E 1432/4885LMNA 621/4885CYP2C19 536/4885
US-20030220423-A1 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators PYM1, ELOC, CBR1 KDM4E 2507/4885LMNA 147/4885CYP2C19 1307/4885

“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.