Sugi Predict

Sugi Predict / Compounds / SCHEMBL398745

SCHEMBL398745

SCHEMBL398745

Nc1ccc2c(c1)C(O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ ATAD2 Q6PL18 1/20 0.41
▸ UGT2B17 O75795 2/20 0.40
▸ DRD1 P21728 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ QPCT Q16769 1/20 0.34
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL31481074 1.00 BRD4 (0.41) BRD4ATAD2UGT2B17DRD1PGR
SCHEMBL6190630 0.95 BRD4 (0.40) BRD4ATAD2UGT2B17DRD1PGR
SCHEMBL3862168 0.89 CHRM4 (0.40) BRD4ATAD2DRD1HTR6DRD2
SCHEMBL17450401 0.85 PGR (0.45) BRD4ATAD2UGT2B17DRD1PGR
SCHEMBL7059446 0.85 PGR (0.45) BRD4ATAD2UGT2B17DRD1PGR
SCHEMBL5491197 0.84 MEN1 (0.49) —
SCHEMBL6409578 0.79 ESR1 (0.47) UGT2B17DRD2
SCHEMBL396737 0.79 ACHE (0.49) BRD4ATAD2DRD1IDO1HTR6
SCHEMBL3533926 0.79 ACHE (0.49) BRD4ATAD2DRD1IDO1HTR6
SCHEMBL30400877 0.79 ACHE (0.49) BRD4ATAD2DRD1IDO1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119978351-A Amino-terminated oligomeric polyaryletherketone compatilizer, and preparation method and application thereof 江苏君华特种高分子材料股份有限公司 2025-05-13 — — CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 — — US claimed
CN-119978351-A Amino-terminated oligomeric polyaryletherketone compatilizer, and preparation method and application thereof 江苏君华特种高分子材料股份有限公司 2025-05-13 — — CN disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 — — CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 — — EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 — — EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 — — EP disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 — — EP disclosed
US-6777426-B2 SELECTIVE AGONISTS FOR HUMAN ALPHA 2 ADRENERGIC RECEPTORS; TREATING PAIN, MIGRAINE, HEADACHES, GLAUCOMA; 2-(INDAN-5-YL)AMINO-2-IMIDAZOLINE FOR EXAMPLE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-08-17 — — US disclosed
EP-0975602-A4 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF GRUENENTHAL GMBH (DE) 2003-01-22 — — EP disclosed
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-02-14 — — US disclosed
US-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 — — US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 — — US disclosed
EP-0975602-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-02-02 — — EP disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 — — US disclosed
WO-1998046572-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-10-22 — — 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-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 BRD4 734/4885ATAD2 817/4885UGT2B17 463/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 BRD4 748/4885ATAD2 234/4885UGT2B17 943/4885

“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.