SCHEMBL5969969

SCHEMBL5969969

O=C(CCCCC(=O)N[C@@H]1CCc2ccccc21)NC1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TSHR P16473 2/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
DRD2 P14416 6/20 0.58
DHODH Q02127 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 2/20 0.56
PARP1 P09874 2/20 0.56
HPGD P15428 1/20 0.56
HTR7 P34969 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
HTR1A P08908 3/20 0.54

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
SCHEMBL5969898 1.00 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL5970025 1.00 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL5969797 0.94 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2ADHODH
SCHEMBL21766236 0.94 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2ADHODH
SCHEMBL7154380 0.94 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2ADHODH
SCHEMBL7003255 0.92 CA12 (0.65) ALDH1A1MEN1KMT2ADRD2SMN1; SMN2
SCHEMBL2463184 0.91 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ADRD2
Hydrochloric Acid SCHEMBL5969901 0.90 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL4863252 0.88 ALDH1A1 (0.58) ALDH1A1TSHRMEN1KMT2ADHODH
SCHEMBL19115277 0.88 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US claimed
US-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US claimed
US-5877221-A TREATING DEMENTIA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US 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-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US disclosed
US-5914349-A ANTICONVULSANTS, EPILEPSY AND COGNITIVE AGENTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-06-22 US disclosed
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5877221-A TREATING DEMENTIA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed
WO-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 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 384/4885TSHR 4794/4885MEN1 142/4885

“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.