SCHEMBL916973

SCHEMBL916973

c1cc(CN2CCNCC2)c2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
LMNA P02545 4/20 0.50
EED O75530 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
DRD2 P14416 2/20 0.45
DRD1 P21728 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
CHRM3 P20309 2/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL23507392 0.85 FAAH (0.56) FAAHLMNAEEDMEN1ALDH1A1
SCHEMBL13448606 0.81 FAAH (0.56) FAAHLMNAMEN1ALDH1A1MAPT
SCHEMBL918275 0.81 FAAH (0.53) FAAHLMNAEEDMEN1ALDH1A1
SCHEMBL14375244 0.79 ACHE (0.55) FAAHLMNAEEDMEN1ALDH1A1
SCHEMBL10101037 0.78 FAAH (0.53) FAAHLMNAEEDMEN1ALDH1A1
SCHEMBL211923 0.77 FAAH (0.72) FAAHLMNAMEN1ALDH1A1MAPT
SCHEMBL6266386 0.74 ADRB1 (0.77) LMNAALDH1A1DRD2DRD1SIGMAR1
SCHEMBL14197726 0.74 LMNA (0.55) FAAHLMNAEEDMEN1ALDH1A1
SCHEMBL23507557 0.74 LMNA (0.55) FAAHLMNAEEDMEN1ALDH1A1
Hydrochloric Acid SCHEMBL12478620 0.73 ADRB1 (0.74) LMNAALDH1A1DRD2DRD1SIGMAR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
EP-1951842-B1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2016-07-27 EP disclosed
US-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US disclosed
US-8501046-B2 Use of rylene derivatives as photosensitizers in solar cells BASF SE (DE) 2013-08-06 US disclosed
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS MAX-PLANCK-GESEL. ZUR FOERDERUNG DER WISSEN. E.V. (DE) 2012-11-08 US disclosed
US-8231809-B2 Solid p-semiconductors may also be used in the inventive dye-sensitized solar cells without increasing the cell resistance, since the rylene derivatives absorb strongly and therefore require only thin n-semiconductor layers BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-8083971-B2 Use of rylene derivatives as active components in solar cells and photodetectors BASF SE (DE) 2011-12-27 US disclosed
US-8071775-B2 photovoltaics; emitters in chemiluminescence applications; field-effect transistors and electrophotography; N,N'-Bis(2,6-diisopropylphenyl)-1,7- and -1,6-bis(2,6-diisopropylphenoxy)-perylene-3,4:9,10-tetracarboximide BASF AKTIENGESELLSCHAFT (DE) 2011-12-06 US disclosed
EP-1904497-B1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2011-08-17 EP disclosed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US disclosed
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS BASF SE (DE) 2010-08-19 US disclosed
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2010-01-21 US disclosed
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups BASF AKTIENGESELLSCHAFT (DE) 2009-05-14 US disclosed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 WO disclosed
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells BASF SE (DE) 2008-10-30 US disclosed
US-20080167467-A1 Substituted Rylene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 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 (9 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-20080167467-A1 Substituted Rylene Derivatives NR3C2, NR2C2, NR2E3 FAAH 4397/4885LMNA 4546/4885EED 1671/4885
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups NR1I3, NR1I2, NR1H3 FAAH 1530/4885LMNA 2865/4885EED 2826/4885
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 FAAH 447/4885LMNA 4460/4885EED 4842/4885
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS NR2E3, NR2E1, NR1D2 FAAH 4618/4885LMNA 2818/4885EED 361/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 FAAH 502/4885LMNA 4382/4885EED 4833/4885
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS NR2E3, NR1H2, NR1H3 FAAH 3811/4885LMNA 2162/4885EED 2342/4885
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL1R1, IL1B, IL1A FAAH 2031/4885LMNA 1971/4885EED 4813/4885
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS RPL22, PROX1, RPL29 FAAH 4143/4885LMNA 3892/4885EED 1964/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 FAAH 4611/4885LMNA 2900/4885EED 375/4885

“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.