SCHEMBL3243108

SCHEMBL3243108

CC(O)CCc1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
TYR P14679 2/20 0.46
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
IDO1 P14902 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
EYA3 Q99504 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33

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
SCHEMBL4368919 0.83 TAAR1 (0.54) TAAR1HTR2AHTR2CHTR7HTR6
SCHEMBL623309 0.80 SLC6A2 (0.61) TAAR1HTR2AHTR2CHTR7HTR6
SCHEMBL30520633 0.80 SLC6A2 (0.61) TAAR1HTR2AHTR2CHTR7HTR6
SCHEMBL853320 0.79 TAAR1 (0.43) TAAR1HTR2AHTR2CHTR7HTR6
SCHEMBL19415512 0.79 TAAR1 (0.43) TAAR1HTR2AHTR2CHTR7HTR6
SCHEMBL16054294 0.78 TAAR1 (0.48) TAAR1HTR2AHTR2CHTR7HTR6
SCHEMBL14286302 0.78 TYR (0.47) TYRSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL1716142 0.78 TAAR1 (0.52) TAAR1TYRSLC6A2SLC6A4SLC6A3
SCHEMBL2486648 0.78 TYR (0.61) TAAR1TYRIDO1SLC6A4CYP2D6
SCHEMBL10996592 0.76 TAAR1 (0.50) TAAR1HTR2AHTR2CHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243543-A1 IRON(II) CATALYSTS CONTAINING DIIMINO-DIPHOSPHINE TETRADENTATE LIGANDS AND THEIR SYNTHESIS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2014-08-28 US disclosed
US-8716507-B2 Iron(II) catalysts containing diimino-diphosphine tetradentate ligands and their synthesis THE GOVERNING COUNCIL OF UNIVERSITY OF TORONTO (CA) 2014-05-06 US disclosed
EP-2210612-A2 Macrocyclic antagonists of the motilin receptor Tranzyme Pharma Inc. (CA) 2010-07-28 EP disclosed
US-20100145087-A1 IRON(II) CATALYSTS CONTAINING DIIMINO-DIPHOSPHINE TETRADENTATE LIGANDS AND THEIR SYNTHESIS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2010-06-10 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 (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-20100145087-A1 IRON(II) CATALYSTS CONTAINING DIIMINO-DIPHOSPHINE TETRADENTATE LIGANDS AND THEIR SYNTHESIS FTH1, FECH, IDH1 TAAR1 291/4885TYR 743/4885HTR2A 2069/4885

“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.