SCHEMBL678643

SCHEMBL678643

CCN(CC)CCCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
CACNA2D1 P54289 1/20 0.38
SLC2A1 P11166 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
PAOX Q6QHF9 1/20 0.31
ARG1 P05089 2/20 0.31
ARG2 P78540 2/20 0.31
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
SCHEMBL8361776 0.92 SIGMAR1 (0.46) SIGMAR1CACNA2D1SLC2A1NPSR1CHRM2
SCHEMBL17523762 0.90 SIGMAR1 (0.44) SIGMAR1CACNA2D1SLC6A2SLC6A4KCNH2
SCHEMBL17523776 0.90 SIGMAR1 (0.44) SIGMAR1CACNA2D1SLC6A2SLC6A4KCNH2
SCHEMBL21016075 0.90 SIGMAR1 (0.44) SIGMAR1CACNA2D1SLC6A2SLC6A4KCNH2
SCHEMBL14731785 0.90 SIGMAR1 (0.44) SIGMAR1CACNA2D1SLC6A2SLC6A4KCNH2
SCHEMBL10225595 0.87 KCNH2 (0.33) SIGMAR1CACNA2D1CHRM2HTR1AADRA2A
SCHEMBL15183480 0.87 CACNA2D1 (0.32) SIGMAR1CACNA2D1
SCHEMBL13044264 0.85
SCHEMBL26455606 0.84 SIGMAR1 (0.40) SIGMAR1CHRM2HTR1AADRA2ACHRM1
SCHEMBL841265 0.82 TSHR (0.33) SIGMAR1ARG1ARG2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20220396548-A1 IONIZABLE LIPIDS FOR NUCLEIC ACID DELIVERY GLOBAL LIFE SCIENCES SOLUTIONS CANADA ULC (CA) 2022-12-15 US disclosed
WO-2022170834-A1 USE OF IONIZABLE CATIONIC LIPID ANALOG MATERIAL AS PROTEIN DRUG DELIVERY CARRIER 中山大学 2022-08-18 WO disclosed
US-11013696-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2021-05-25 US disclosed
US-10844002-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-11-24 US disclosed
US-20200172538-A1 COMPOUNDS FOR BONE GROWTH OSSIFI THERAPEUTICS LLC 2020-06-04 US disclosed
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-20190002393-A1 Lipids and Lipid Compositions for the Delivery of Active Agents NOVARTIS AG (CH) 2019-01-03 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-7157582-B2 Selective iGluR5 receptor antagonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
CN-1249068-C Chemical products suitable as cocatalysts, their preparation and their use in catalyst systems for the preparation of polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-04-05 CN disclosed
CN-1433339-A New catalyst system and application thereof BASELL POLYROPYLEN GMBH (DE) 2003-07-30 CN disclosed
CN-1427842-A Chemical products suited for use as co-catalysts, method for preparation thereof and their use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2003-07-02 CN disclosed
US-4543411-A RUTHENIUM CONTAINING CATALYST MIXED WITH PHOSPHONIUM SALT TEXACO INC. (US) 1985-09-24 US 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 (12 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-10844002-B2 Lipids and lipid compositions for the delivery of active agents LRAT, LIPA, LPAR1 SIGMAR1 1374/4885CACNA2D1 3778/4885SLC2A1 424/4885
US-20220396548-A1 IONIZABLE LIPIDS FOR NUCLEIC ACID DELIVERY RNASEH1, NSUN3, SLC67A1 SIGMAR1 1423/4885CACNA2D1 3650/4885SLC2A1 888/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B SIGMAR1 2494/4885CACNA2D1 1080/4885SLC2A1 802/4885
US-20200172538-A1 COMPOUNDS FOR BONE GROWTH FGF1, FGF2, BMP2 SIGMAR1 4835/4885CACNA2D1 1540/4885SLC2A1 376/4885
US-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 SIGMAR1 4049/4885CACNA2D1 2176/4885SLC2A1 1296/4885
US-11013696-B2 Lipids and lipid compositions for the delivery of active agents PHOSPHO1, SGMS1, LIPA SIGMAR1 628/4885CACNA2D1 2860/4885SLC2A1 732/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 SIGMAR1 4602/4885CACNA2D1 4743/4885SLC2A1 2941/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE SIGMAR1 1250/4885CACNA2D1 453/4885SLC2A1 3337/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT SIGMAR1 1229/4885CACNA2D1 1556/4885SLC2A1 1453/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 SIGMAR1 633/4885CACNA2D1 124/4885SLC2A1 2363/4885
US-20190002393-A1 Lipids and Lipid Compositions for the Delivery of Active Agents LRAT, LIPA, LPAR1 SIGMAR1 1374/4885CACNA2D1 3778/4885SLC2A1 424/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 SIGMAR1 3999/4885CACNA2D1 1843/4885SLC2A1 1138/4885

“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.