Sugi Predict

Sugi Predict / Compounds / SCHEMBL4464347

SCHEMBL4464347

SCHEMBL4464347

COc1cc2c(cc1OC)C[C@@H](C(=O)O)NC2

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ GRIA2 P42262 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL1202600 1.00 EGLN1 (0.44) EGLN1ALDH1A1CA1CA2CYP3A4
Hydrochloric Acid SCHEMBL7221540 0.98 EGLN1 (0.43) EGLN1ALDH1A1CA1CA2CYP3A4
Hydrochloric Acid SCHEMBL7221546 0.98 EGLN1 (0.43) EGLN1ALDH1A1CA1CA2CYP3A4
SCHEMBL14153978 0.91 EGLN1 (0.40) EGLN1ALDH1A1DPP4CD274GRIA2
SCHEMBL1202901 0.86 ALDH1A1 (0.44) ALDH1A1CA1CA2CYP3A4MAPT
SCHEMBL8964158 0.85 AGTR2 (0.54) —
SCHEMBL8964561 0.85 AGTR2 (0.54) —
SCHEMBL5204234 0.84 ALDH1A1 (0.42) ALDH1A1CA1CA2DPP4CYP2D6
SCHEMBL7221112 0.83 ACHE (0.42) EGLN1CYP3A4ACHECD274MAPK1
SCHEMBL7221115 0.83 ACHE (0.42) EGLN1CYP3A4ACHECD274MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003101967-A1 PREPARATION OF CHIRAL 1,2,3,4-TETRAHYDRO-6,7-DIALKOXY-3-ISOQUINOLINECARBOXYLIC ACID AND DERIVATIVES BY REACTING LEVODOPA WITH FORMALDEHYDE OR FORMALDEHYDE PRECURSORS APTEX PHARMACHEM INC. (CA) 2003-12-11 — — WO claimed
US-6642384-B1 Forming intermediate to moexipril; cyclizing levodopa with formaldehyde; protecting amine, alkylating phenols, esterifying carboxylic acid and optionally deprotecting BRANTFORD CHEMICALS INC. (CA) 2003-11-04 — — US claimed
US-4912221-A Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-03-27 — — US claimed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 — — US disclosed
US-7402594-B2 Sulfated bis-cyclic agents VIRGINIA COMMONWEALTH UNIVERSITY (US) 2008-07-22 — — US disclosed
US-7402594-B2 Sulfated bis-cyclic agents VIRGINIA COMMONWEALTH UNIVERSITY (US) 2008-07-22 — — US disclosed
EP-1940819-A1 PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-07-09 — — EP disclosed
US-20070173529-A1 Sulfated bis-cyclic agents VIRGINIA COMMONWEALTH UNIVERSITY 2007-07-26 — — US disclosed
US-20070173529-A1 Sulfated bis-cyclic agents VIRGINIA COMMONWEALTH UNIVERSITY 2007-07-26 — — US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 — — WO disclosed
CN-1275944-C Process for preparing (s)-6,7-dimethoxy-1,2,3,4-tetrahydro isoquinoline-3-carboxylic acid SHANGHAI INST PHARM INDUSTRY (CN) 2006-09-20 — — CN disclosed
CN-1275944-C Process for preparing (s)-6,7-dimethoxy-1,2,3,4-tetrahydro isoquinoline-3-carboxylic acid SHANGHAI INST PHARM INDUSTRY (CN) 2006-09-20 — — CN disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 — — US disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 — — WO disclosed
CN-1690049-A Process for preparing (s)-6,7-dimethoxy-1,2,3,4-tetrahydro isoquinoline-3-carboxylic acid SHANGHAI INST PHARM INDUSTRY (CN) 2005-11-02 — — CN disclosed
CN-1690049-A Process for preparing (s)-6,7-dimethoxy-1,2,3,4-tetrahydro isoquinoline-3-carboxylic acid SHANGHAI INST PHARM INDUSTRY (CN) 2005-11-02 — — CN disclosed
WO-2003101967-A1 PREPARATION OF CHIRAL 1,2,3,4-TETRAHYDRO-6,7-DIALKOXY-3-ISOQUINOLINECARBOXYLIC ACID AND DERIVATIVES BY REACTING LEVODOPA WITH FORMALDEHYDE OR FORMALDEHYDE PRECURSORS APTEX PHARMACHEM INC. (CA) 2003-12-11 — — WO disclosed
US-6642384-B1 Forming intermediate to moexipril; cyclizing levodopa with formaldehyde; protecting amine, alkylating phenols, esterifying carboxylic acid and optionally deprotecting BRANTFORD CHEMICALS INC. (CA) 2003-11-04 — — US disclosed
US-4912221-A Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-03-27 — — 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-20070173529-A1 Sulfated bis-cyclic agents SULT1E1, STS, SULT1A1 EGLN1 502/4885ALDH1A1 1511/4885CA1 209/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 EGLN1 256/4885ALDH1A1 508/4885CA1 204/4885

“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.