SCHEMBL382196

SCHEMBL382196

CCC(N)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
SCN4A P35499 5/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A4 P31645 1/20 0.36
ACP3 P15309 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL3865062 1.00 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA
SCHEMBL3863813 1.00 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA
Hydrochloric Acid SCHEMBL20238422 0.98 ESR1 (0.45) ESR1TSHRACHESCN4AMAOA
Hydrochloric Acid SCHEMBL4935577 0.98 ESR1 (0.45) ESR1TSHRACHESCN4AMAOA
SCHEMBL3678678 0.85 TSHR (0.44) TSHRMAOASLC6A4
SCHEMBL5147323 0.83 ADRA2A (0.39) ESR1TSHRSCN4AMAOAMAOB
SCHEMBL15295186 0.83 ESR1 (0.43) ESR1TSHRACHESCN4AMAOA
SCHEMBL15295134 0.83 ESR1 (0.43) ESR1TSHRACHESCN4AMAOA
SCHEMBL7591099 0.82 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA
SCHEMBL28448173 0.82 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA

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-118401580-A Process for producing thermoplastic polyoxazolidinones 科思创德国股份有限公司 2024-07-26 CN disclosed
CN-116529281-A Process for producing thermoplastic polyoxazolidone polymers 科思创德国股份有限公司 2023-08-01 CN disclosed
CN-115989260-A Method for producing thermoplastic polyoxazolidinones 科思创德国股份有限公司 2023-04-18 CN disclosed
CN-115989262-A Process for producing thermoplastic polyoxazolidinones 科思创德国股份有限公司 2023-04-18 CN disclosed
CN-115989261-A Process for producing thermoplastic polyoxazolidinones 科思创德国股份有限公司 2023-04-18 CN disclosed
US-20200299309-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-24 US disclosed
CN-110325531-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-10-11 CN disclosed
CN-105899205-B Progress of preventing at diabetes B method 维瓦斯公司 2019-07-09 CN disclosed
CN-109862879-A The anti-tamper preparation of ephedrine and its derivative 格吕伦塔尔有限公司 2019-06-07 CN disclosed
EP-2691384-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES MEI Pharma, Inc. (US) 2014-02-05 EP disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
EP-1454958-B1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEM CO LTD (JP) 2006-10-04 EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
US-20050001349-A1 Lactic acid polymer composition and molded object thereof NEW JAPAN CHEMICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1454958-A1 LACTIC ACID POLYMER COMPOSITION AND MOLDED OBJECT THEREOF NEW JAPAN CHEMICAL CO.,LTD. (JP) 2004-09-08 EP disclosed
US-5973076-A MOLDING; CONTROLLING TEMPERATURE IN PRESENCE OF AN AMIDE COMPOUND NEW JAPAN CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0776933-B1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEM CO LTD (JP) 1999-08-04 EP disclosed
EP-0776933-A1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEMICAL CO.,LTD. (JP) 1997-06-04 EP 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-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 ESR1 3037/4885TSHR 2257/4885ACHE 4743/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ESR1 4063/4885TSHR 1576/4885ACHE 167/4885
US-20200299309-A1 Compounds Useful in HIV Therapy CCR5, SLC11A2, CD4 ESR1 4250/4885TSHR 4875/4885ACHE 3741/4885

“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.