SCHEMBL2461656

SCHEMBL2461656

O=C(Cc1ccccc1)NC1CCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
EPHX2 P34913 4/20 0.62
ROCK2 O75116 2/20 0.61
ROCK1 Q13464 2/20 0.61
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
DHODH Q02127 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
Hydrochloric Acid SCHEMBL5969836 0.98 ALDH1A1 (0.62) ALDH1A1EPHX2ROCK2ROCK1MAPT
SCHEMBL9731131 0.91 ALDH1A1 (0.75) ALDH1A1EPHX2HPGDTSHRHTT
SCHEMBL5969797 0.86 ALDH1A1 (0.64) ALDH1A1EPHX2MAPTHPGDTSHR
SCHEMBL21766236 0.86 ALDH1A1 (0.64) ALDH1A1EPHX2MAPTHPGDTSHR
SCHEMBL7154380 0.86 ALDH1A1 (0.64) ALDH1A1EPHX2MAPTHPGDTSHR
SCHEMBL25106886 0.84 ALDH1A1 (0.62) ALDH1A1EPHX2HPGDTSHRHTT
SCHEMBL785145 0.84 HTR1A (0.48) ALDH1A1EPHX2ROCK2ROCK1MAPT
SCHEMBL785755 0.84 HTR1A (0.48) ALDH1A1EPHX2ROCK2ROCK1MAPT
SCHEMBL4858887 0.83 ALDH1A1 (0.83) ALDH1A1EPHX2HPGDTSHRHTT
SCHEMBL5970025 0.83 ALDH1A1 (0.61) ALDH1A1EPHX2HPGDTSHRTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782252-B2 2011-09-28 JP claimed
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP claimed
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES COHEN SASSON (IL) 2002-06-06 US claimed
US-6271263-B1 Compositions containing and methods of using 1-aminoindan and derivatives thereof and process for preparing optically active 1-aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2001-08-07 US claimed
US-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
US-5914349-A ANTICONVULSANTS, EPILEPSY AND COGNITIVE AGENTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-06-22 US claimed
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US claimed
US-5877221-A TREATING DEMENTIA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US claimed
US-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP disclosed
US-6528685-B2 Such as (R)-N-(2-acetamido)-1-aminoindan for treatment of Parkinson's disease, dementia, epilepsy, convulsions, or seizures TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-03-04 US disclosed
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES COHEN SASSON (IL) 2002-06-06 US disclosed
US-6271263-B1 Compositions containing and methods of using 1-aminoindan and derivatives thereof and process for preparing optically active 1-aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2001-08-07 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 WO disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 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-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES PARK7, GAP43, PSEN1 ALDH1A1 384/4885EPHX2 1275/4885ROCK2 2908/4885

“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.