SCHEMBL7201340

SCHEMBL7201340

NC1Cc2ccccc2C(C(=O)O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
KDM1A O60341 4/20 0.39
ALDH1A1 P00352 1/20 0.37
HTR2A P28223 1/20 0.36
ANPEP P15144 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL27398624 0.81 MAPT (0.53) TSHRNPSR1GAAMAPTGRIN2D
SCHEMBL28787105 0.81 MAPT (0.53) TSHRNPSR1GAAMAPTGRIN2D
SCHEMBL3732085 0.80 TSHR (0.51) TSHRNPSR1GAAMAPTGRIN2D
SCHEMBL10331843 0.76 TSHR (0.48) TSHRNPSR1GAAMAPTSIGMAR1
SCHEMBL28296103 0.74 GAA (0.49) TSHRNPSR1GAAMAPTGRIN2D
SCHEMBL1325110 0.73 TSHR (0.48) TSHRNPSR1ALDH1A1
SCHEMBL12500797 0.73 MAPT (0.51) TSHRNPSR1GAAMAPTGRIN2D
SCHEMBL9608966 0.72 TSHR (0.67) TSHRNPSR1GAAMAPTALDH1A1
SCHEMBL17231978 0.72 TSHR (0.67) TSHRNPSR1GAAMAPTALDH1A1
SCHEMBL21689895 0.72 TSHR (0.67) TSHRNPSR1GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6566524-B2 Providing amino-substituted-tetrahydroisoquinoline-carboxylate attached to a solid support; reacting with sulfonyl chloride compound; cleaving intermediate from solid support to form an amino-tetrahydroisoquinoline-sulfonamide hydroxamic acid THE PROCTER & GAMBLE CO. 2003-05-20 US disclosed
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds PROCTER & GAMBLE COMPANY, THE 2002-06-20 US disclosed
US-20020058815-A1 Methods for synthesis of amino-tertahydroisoquinoline-sulfonamide hydroxamic acids PROCTER & GAMBLE COMANY, THE 2002-05-16 US 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-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds ASNS, QPCT, DAO TSHR 4338/4885NPSR1 3091/4885GAA 2987/4885
US-20020058815-A1 Methods for synthesis of amino-tertahydroisoquinoline-sulfonamide hydroxamic acids ASNS, GLUL, STS TSHR 668/4885NPSR1 1904/4885GAA 1121/4885

“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.