SCHEMBL1370804

SCHEMBL1370804

NC1CCc2ccc(O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
OPRK1 P41145 1/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50

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
SCHEMBL1372731 1.00 DRD2 (0.55) DRD2DRD3OPRK1ESR1ESR2
SCHEMBL1370800 1.00 DRD2 (0.55) DRD2DRD3OPRK1ESR1ESR2
SCHEMBL5970080 1.00 DRD2 (0.55) DRD2DRD3OPRK1ESR1ESR2
Hydrochloric Acid SCHEMBL28150626 0.98 DRD2 (0.53) DRD2DRD3OPRK1ESR1ESR2
Hydrochloric Acid SCHEMBL5969925 0.98 DRD2 (0.53) DRD2DRD3OPRK1ESR1ESR2
Hydrochloric Acid SCHEMBL5969965 0.98 DRD2 (0.53) DRD2DRD3OPRK1ESR1ESR2
Sulfuric Acid SCHEMBL28237715 0.91 DRD2 (0.47) DRD2DRD3OPRK1ESR1ESR2
SCHEMBL2803692 0.89 ACHE (0.51) DRD2DRD3OPRK1ESR1ESR2
Hydrochloric Acid SCHEMBL2807478 0.87 ACHE (0.50) DRD2DRD3OPRK1ESR1ESR2
SCHEMBL32665589 0.84 DRD2 (0.55) DRD2DRD3OPRK1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105177103-B A kind of preparation method of R-6- hydroxyl -1- aminoidan 陈永军 2019-03-12 CN claimed
CN-105087742-B Dynamic Kinetic Resolution prepares R-6- hydroxyl -1- aminoidans 陈永军 2018-09-14 CN claimed
CN-105017035-B Method for preparing (S)-6-hydroxy-1-aminoindane through dynamic kinetic resolution 山东省立医院 2017-05-24 CN claimed
CN-105177103-A Preparation method for R-6-hydroxy-1-aminoindan CHEN YONGJUN 2015-12-23 CN claimed
CN-105175273-A Method for preparing S-6-hydroxy-1-aminoindane WU LING 2015-12-23 CN claimed
CN-105087742-A Method for preparing R-6-hydroxy-1-aminoindane through dynamic kinetic resolution CHEN YONGJUN 2015-11-25 CN claimed
CN-105017035-A Method for preparing (S)-6-hydroxy-1-aminoindane through dynamic kinetic resolution CHEN YONGJUN 2015-11-04 CN claimed
CN-105002257-A Preparation method of S-6-hydroxyl-1-aminoindane CHEN YONGJUN 2015-10-28 CN claimed
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-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 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-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP 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-3143002-B1 COMPOUNDS WITH NEURAL PROTECTIVE EFFECT, AND PREPARATION AND USE THEREOF GUANGZHOU MAGPIE PHARMACEUTICAL CO LTD (CN) 2020-12-02 EP disclosed
CN-105177103-B A kind of preparation method of R-6- hydroxyl -1- aminoidan 陈永军 2019-03-12 CN 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 DRD2 211/4885DRD3 223/4885OPRK1 178/4885

“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.