SCHEMBL4368919

SCHEMBL4368919

CC(C)CCc1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
IDO1 P14902 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DHODH Q02127 1/20 0.37
HTR2A P28223 3/20 0.35
HTR2C P28335 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL7630645 0.84 SLC6A2 (0.48) TAAR1SLC6A2SLC6A4SLC6A3DHODH
SCHEMBL31517195 0.84 SLC6A2 (0.48) TAAR1SLC6A2SLC6A4SLC6A3DHODH
SCHEMBL30520633 0.83 SLC6A2 (0.61) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL3243108 0.83 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL623309 0.83 SLC6A2 (0.61) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL6683911 0.77 GABRA1 (0.52) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL2010659 0.76 TAAR1 (0.43) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL3047458 0.76 TAAR1 (0.56) TAAR1SLC6A2SLC6A4SLC6A3DHODH
SCHEMBL6681327 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3DHODHHTR2A
SCHEMBL10996592 0.75 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744810-B2 Methods of treating or preventing an attention disorder, cognitive disorder, and/or dementia associated with a neurodegenerative disorder DREXEL UNIVERSITY (US) 2023-09-05 US disclosed
US-9861594-B2 Treatments for attention and cognitive disorders, and for dementia associated with a neurodegenerative disorder DREXEL UNIVERSITY (US) 2018-01-09 US disclosed
US-20170246128-A1 NOVEL D3 DOPAMINE RECEPTOR AGONISTS TO TREAT DYSKINESIA IN PARKINSON'S DISEASE UNIV DREXEL (US) 2017-08-31 US disclosed
US-20160256417-A1 NOVEL TREATMENTS FOR ATTENTION AND COGNITIVE DISORDERS, AND FOR DEMENTIA ASSOCIATED WITH A NEURODEGENERATIVE DISORDER DREXEL UNIVERSITY (US) 2016-09-08 US disclosed
US-9289400-B2 D3 dopamine receptor agonists to treat dyskinesia in parkinson's disease DREXEL UNIVERSITY (US) 2016-03-22 US disclosed
US-20140228355-A1 Novel D3 Dopamine Receptor Agonists to Treat Dyskinesia in Parkinson's Disease UNIVERSITY OF MEDICINE AND DENTISTRY NEW JERSEY MEDICAL SCHOOL (US) 2014-08-14 US disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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 (5 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP TAAR1 900/4885IDO1 2524/4885SLC6A2 1513/4885
US-20160256417-A1 NOVEL TREATMENTS FOR ATTENTION AND COGNITIVE DISORDERS, AND FOR DEMENTIA ASSOCIATED WITH A NEURODEGENERATIVE DISORDER CHAT, BDNF, SLC18A3 TAAR1 355/4885IDO1 1637/4885SLC6A2 13/4885
US-20170246128-A1 NOVEL D3 DOPAMINE RECEPTOR AGONISTS TO TREAT DYSKINESIA IN PARKINSON'S DISEASE DRD3, PARK7, SLC6A3 TAAR1 206/4885IDO1 523/4885SLC6A2 128/4885
US-20140228355-A1 Novel D3 Dopamine Receptor Agonists to Treat Dyskinesia in Parkinson's Disease DRD3, PARK7, SLC6A3 TAAR1 206/4885IDO1 523/4885SLC6A2 128/4885
US-11744810-B2 Methods of treating or preventing an attention disorder, cognitive disorder, and/or dementia associated with a neurodegenerative disorder CHAT, COMT, SLC6A2 TAAR1 590/4885IDO1 939/4885SLC6A2 3/4885

“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.