Sugi Predict

Sugi Predict / Compounds / SCHEMBL2733709

SCHEMBL2733709

SCHEMBL2733709

O=C(O)C1(c2ccccc2)CCCN1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.52
▸ NR1H3 Q13133 2/20 0.52
▸ AKR1C1 Q04828 1/20 0.44
▸ HSD11B1 P28845 2/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ SLC6A9 P48067 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TET3 O43151 1/20 0.38
▸ FBXL19 Q6PCT2 1/20 0.38
▸ CXXC5 Q7LFL8 1/20 0.38
▸ TET1 Q8NFU7 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ CXXC4 Q9H2H0 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38

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
SCHEMBL30668922 1.00 NR1H2 (0.52) NR1H2NR1H3AKR1C1HSD11B1OPRM1
SCHEMBL2733711 1.00 NR1H2 (0.52) NR1H2NR1H3AKR1C1HSD11B1OPRM1
Hydrochloric Acid SCHEMBL29256930 0.98 NR1H2 (0.51) NR1H2NR1H3AKR1C1HSD11B1OPRM1
Hydrochloric Acid SCHEMBL29256931 0.98 NR1H2 (0.51) NR1H2NR1H3AKR1C1HSD11B1OPRM1
SCHEMBL31148509 0.87 NR1H2 (0.50) NR1H2NR1H3AKR1C1HSD11B1OPRM1
SCHEMBL30467206 0.83 NR1H2 (0.56) NR1H2NR1H3AKR1C1HSD11B1OPRM1
SCHEMBL27889796 0.83 NR1H2 (0.56) NR1H2NR1H3AKR1C1HSD11B1OPRM1
SCHEMBL29137541 0.80 NR1H2 (0.56) NR1H2NR1H3HSD11B1OPRM1OPRL1
SCHEMBL29137544 0.80 NR1H2 (0.56) NR1H2NR1H3HSD11B1OPRM1OPRL1
SCHEMBL2899070 0.79 AKR1C1 (0.47) NR1H2NR1H3AKR1C1HSD11B1OPRM1

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
CN-120117961-A Preparation method of (S) -2,2',4' -trichloroethanol 上海贝美医药科技有限公司 2025-06-10 — — CN disclosed
CN-114591344-B Synthesis method of chiral spiro tetrahydrofuran-pyrazolone compound 苏州大学 2024-01-30 — — CN disclosed
WO-2023173651-A1 METHOD FOR SYNTHESIZING CHIRAL SPIRO-TETRAHYDROFURAN-PYRAZOLONE COMPOUND 苏州大学 2023-09-21 — — WO disclosed
CN-114591344-A Synthesis method of chiral spiro tetrahydrofuran-pyrazolone compound 苏州大学 2022-06-07 — — CN disclosed
CN-107188771-B Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2021-08-24 — — CN disclosed
US-8882729-B2 Transdermal therapeutic system having stabilized membrane LTS LOHMANN THERAPIE SYSTEME AG (DE) 2014-11-11 — — US disclosed
US-8454582-B2 Methods and devices for the treatment of ocular conditions SURMODICS, INC. (US) 2013-06-04 — — US disclosed
US-20120245537-A1 TRANSDERMAL THERAPEUTIC SYSTEM HAVING STABILIZED MEMBRANE LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2012-09-27 — — US disclosed
US-20110159073-A1 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS DEJUAN EUGENE 2011-06-30 — — US disclosed
US-20060110428-A1 Methods and devices for the treatment of ocular conditions SURMODICS MD, LLC 2006-05-25 — — US disclosed
US-20050002865-A1 Diagnostic/therapeutic agents AMERSHAM HEALTH AS (NO) 2005-01-06 — — US disclosed
US-20040141922-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2004-07-22 — — US disclosed
US-6680047-B2 FOR USE IN ULTRASOUND IMAGING, CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2004-01-20 — — US disclosed
US-20020102215-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 — — US disclosed
US-20020102217-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 — — US disclosed
US-6331289-B1 ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED NYCOMED IMAGING AS (NO) 2001-12-18 — — US disclosed
US-6264917-B1 MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT NYCOMED IMAGING AS (NO) 2001-07-24 — — US disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 — — US disclosed
US-6254558-B1 Method for producing a therapeutic system in the form of plaster LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2001-07-03 — — 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 (3 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-20040141922-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 NR1H2 2302/4885NR1H3 2255/4885AKR1C1 4767/4885
US-20050002865-A1 Diagnostic/therapeutic agents FUS, HNRNPF, HNRNPR NR1H2 3570/4885NR1H3 3451/4885AKR1C1 4668/4885
US-20020102215-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 NR1H2 1817/4885NR1H3 1745/4885AKR1C1 4674/4885

“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.