SCHEMBL1961847

SCHEMBL1961847

Cc1ccccc1CC1CNCCO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.50
SLC6A4 P31645 10/20 0.50
SLC6A3 Q01959 10/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA2C P18825 1/20 0.50
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 1/20 0.41
SSTR4 P31391 1/20 0.39
HRH1 P35367 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR3A P46098 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
SCHEMBL28253269 0.90 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1552511 0.85 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL14938675 0.84 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL27787953 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL3314458 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL28212077 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1552722 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1552719 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL2458909 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1552400 0.82 ADRA2C (0.67) SLC6A2SLC6A4SLC6A3HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513028-B1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, USE OF SAID ALIZARIN COMPOUND, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORP (JP) 2018-06-20 EP disclosed
US-8741513-B2 Method for preparing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORPORATION (JP) 2014-06-03 US disclosed
EP-2513028-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM Corporation (JP) 2012-10-24 EP disclosed
US-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2012-09-27 US disclosed
WO-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 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 (1 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-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR NR2E3, INA, NHERF1 SLC6A2 2130/4885SLC6A4 2501/4885SLC6A3 798/4885

“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.