SCHEMBL7202686

SCHEMBL7202686

Nc1ccc2c(c1)C(C(=O)O)NCC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPKAPK2 P49137 7/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
KDM1A O60341 1/20 0.37
DRD1 P21728 1/20 0.37
PRCP P42785 1/20 0.37
GRIA2 P42262 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
SCHEMBL825633 0.82 TSHR (0.64) TSHRNPSR1MAPKAPK2KDM1ADRD1
SCHEMBL29731083 0.82 TSHR (0.64) TSHRNPSR1MAPKAPK2KDM1ADRD1
SCHEMBL15605763 0.81 TSHR (0.62) TSHRNPSR1MAPKAPK2MAPKAPK5KDM1A
SCHEMBL11024334 0.79 KMT2A (0.40) TSHRNPSR1SLC6A2SLC6A4TBXA2R
SCHEMBL29381539 0.78 TSHR (0.97) TSHRNPSR1MAPKAPK2SLC6A2SLC6A4
SCHEMBL514422 0.78 TSHR (0.97) TSHRNPSR1MAPKAPK2SLC6A2SLC6A4
SCHEMBL29597389 0.78 TSHR (0.97) TSHRNPSR1MAPKAPK2SLC6A2SLC6A4
SCHEMBL29505877 0.78 TSHR (0.97) TSHRNPSR1MAPKAPK2SLC6A2SLC6A4
SCHEMBL574702 0.78 TSHR (0.97) TSHRNPSR1MAPKAPK2SLC6A2SLC6A4
SCHEMBL2303831 0.78 TSHR (0.97) TSHRNPSR1MAPKAPK2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020055637-A1 Methods for synthesis of amino-tetrahydroisoquinoline-carboxylic acids PROCTER & GAMBLE COMPANY, THE 2002-05-09 US claimed
US-6608193-B2 Forming an intermediate by reacting the support-bound amino-substituted-tetrahydroisoquinoline compound with a reagent; and cyclizatively cleaving support-bound amino-substituted-tetrahydroisoquinoline compound THE PROCTER & GAMBLE COMPANY 2003-08-19 US disclosed
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds PROCTER & GAMBLE COMPANY, THE 2002-06-20 US disclosed
US-20020055637-A1 Methods for synthesis of amino-tetrahydroisoquinoline-carboxylic acids PROCTER & GAMBLE COMPANY, THE 2002-05-09 US disclosed
EP-0878467-B1 Substituted 6- and 7-aminotetrahydroisoquinolinecarboxylic acids HOECHST AG (DE) 2001-10-31 EP disclosed
US-5962471-A Substituted 6- and 7-aminotetrahydroisoquinolinecarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-05 US disclosed
US-5962471-A Substituted 6- and 7-aminotetrahydroisoquinolinecarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-05 US disclosed
EP-0878467-A1 Substituted 6- and 7-aminotetrahydroisoquinolinecarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-18 EP disclosed
CN-1199045-A Substituted 6- and 7-aminotetrahydroisoquinolinecarboxylic acids HOECHST AG (DE) 1998-11-18 CN 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 (2 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-20020055637-A1 Methods for synthesis of amino-tetrahydroisoquinoline-carboxylic acids DAO, DDC, ASNS TSHR 4286/4885NPSR1 2776/4885MAPKAPK2 3531/4885
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds ASNS, QPCT, DAO TSHR 4338/4885NPSR1 3091/4885MAPKAPK2 2699/4885

“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.