Sugi Predict

Sugi Predict / Compounds / SCHEMBL584745

SCHEMBL584745

SCHEMBL584745

CNC(=O)[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NAAA Q02083 2/20 0.53
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47

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
SCHEMBL584746 1.00 LMNA (0.58) LMNAMAPK1NAAACES2CES1
SCHEMBL30565288 1.00 LMNA (0.58) LMNAMAPK1NAAACES2CES1
SCHEMBL3659840 0.86 LMNA (0.52) LMNAMAPK1NAAACES2CES1
SCHEMBL19954280 0.81 POLB (0.68) LMNAMAPK1CES2CES1HPGD
SCHEMBL29521360 0.81 POLB (0.68) LMNAMAPK1CES2CES1HPGD
SCHEMBL11588542 0.81 POLB (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL4710420 0.81 HIF1A (0.47) LMNAHPGDGAAMAPTSLC6A3
SCHEMBL17129633 0.81 FFAR2 (0.50) MAPK1HPGDKEAP1NFE2L2POLB
SCHEMBL23358392 0.80 HDAC1 (0.65) LMNAMAPK1NAAACES2CES1
SCHEMBL8080269 0.80 HDAC1 (0.65) LMNAMAPK1NAAACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349685-B 1, 4-dihydropyridine hydrogenation reagent, preparation method and application thereof 中山奕安泰医药科技有限公司 2023-10-17 — — CN disclosed
CN-112174909-B Preparation method of aprepitant intermediate 中山奕安泰医药科技有限公司 2022-05-03 — — CN disclosed
CN-114349685-A 3, 5-diamide-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof 中山奕安泰医药科技有限公司 2022-04-15 — — CN disclosed
CN-112125837-B Preparation method of avibactam intermediate 中山奕安泰医药科技有限公司 2022-04-08 — — CN disclosed
CN-112142663-B Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2022-03-22 — — CN disclosed
CN-112250533-B Synthesis method of (S) -1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethylamine 中山奕安泰医药科技有限公司 2022-03-22 — — CN disclosed
CN-112250533-A Synthesis method of (S) -1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethylamine 中山奕安泰医药科技有限公司 2021-01-22 — — CN disclosed
CN-112174909-A Preparation method of aprepitant intermediate 中山奕安泰医药科技有限公司 2021-01-05 — — CN disclosed
CN-112142663-A Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2020-12-29 — — CN disclosed
CN-112125837-A Preparation method of avibactam intermediate 中山奕安泰医药科技有限公司 2020-12-25 — — CN disclosed
CN-101568542-A 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 — — CN disclosed
US-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-07-30 — — US disclosed
US-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-07-30 — — US disclosed
WO-2009079637-A1 TETRAHYDROISOQUINOLINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2009-06-25 — — WO disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 — — US disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 — — US disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 — — US disclosed
CN-1926109-A Substituted 1,2,3, 4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-07 — — CN disclosed
EP-1751111-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-02-14 — — EP disclosed
WO-2005118548-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-12-15 — — 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 (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-20090192188-A1 TETRAHYDROISOQUINOLINE DERIVATIVES HCRTR2, HCRTR1, OXTR LMNA 4404/4885MAPK1 2446/4885NAAA 3728/4885
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives CPT1A, NQO1, COQ8A LMNA 1009/4885MAPK1 3291/4885NAAA 2382/4885

“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.