SCHEMBL5969960

SCHEMBL5969960

COC(=O)[C@H]1C[C@@H](N)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 4/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5969963 1.00 HSD17B10 (0.43) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL5969962 1.00 HSD17B10 (0.43) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL15630930 1.00 HSD17B10 (0.43) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5969854 0.98 HSD17B10 (0.42) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5969851 0.98 HSD17B10 (0.42) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL8503090 0.81 SLC6A2 (0.37) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL14567623 0.79 CYP1A2 (0.40) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL4958825 0.79 CYP1A2 (0.40) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL25816153 0.79 PDE5A (0.36) HSD17B10CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL2470428 0.78 SLC6A2 (0.46) CYP1A2TSHRCYP2D6SLC6A3SLC6A2

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 17 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-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 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
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP 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-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5877221-A TREATING DEMENTIA 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
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 HSD17B10 2664/4885CYP1A2 77/4885TSHR 4794/4885

“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.