SCHEMBL447751

SCHEMBL447751

C1=C[N]c2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TRPA1 O75762 3/20 0.33
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27304790 0.77 NOS3 (0.32) NOS3NOS1NOS2TRPA1
SCHEMBL452182 0.75
SCHEMBL2505673 0.71 SIGMAR1 (0.39)
SCHEMBL1954384 0.68 TRPA1 (0.39) NOS3NOS1NOS2TRPA1NPC1
SCHEMBL21862268 0.67 TRPA1 (0.38) NOS3NOS1NOS2TRPA1NPC1
SCHEMBL2923846 0.67
SCHEMBL29507678 0.67 TSHR (0.44) TSHR
SCHEMBL44447 0.67 TSHR (0.44) TSHR
Quinoxaline SCHEMBL451431 0.67 ALDH1A1 (0.33)
SCHEMBL60763 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
CN-118005569-A 6-Aminoquinoxaline compound and preparation method and application thereof 华南理工大学 2024-05-10 CN claimed
CN-115557823-B Method for synthesizing amide compounds 浙江工业大学 2023-12-05 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
EP-4161906-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES Bayer Aktiengesellschaft (DE) 2023-04-12 EP claimed
EP-4153566-A1 AZABICYCLIC(THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer CropScience Aktiengesellschaft (DE) 2023-03-29 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
WO-2021233861-A1 AZABICYCLIC(THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2021-11-25 WO claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
EP-0728003-A1 METHOD FOR PREVENTING TISSUE INJURY FROM HYPOXIA CELL THERAPEUTICS, INC. (US) 1996-08-28 EP claimed
EP-0676958-A1 METHOD FOR INHIBITING INTRACELLULAR VIRAL REPLICATION CELL THERAPEUTICS, INC. (US) 1995-10-18 EP claimed
WO-1995019171-A1 METHOD FOR TREATING DISEASES MEDIATED BY CELLULAR PROLIFERATION IN RESPONSE TO PDGF, EGF, FGF AND VEGF CELL THERAPEUTICS, INC. (US) 1995-07-20 WO claimed
WO-1995013808-A1 METHOD FOR SELECTIVELY INHIBITING IL-2 SIGNAL TRANSDUCTION CELL THERAPEUTICS, INC. (US) 1995-05-26 WO claimed
WO-1995013075-A1 METHOD FOR PREVENTING TISSUE INJURY FROM HYPOXIA CELL THERAPEUTICS, INC. (US) 1995-05-18 WO claimed
WO-1995012396-A1 METHOD FOR INHIBITING INTRACELLULAR VIRAL REPLICATION CELL THERAPEUTICS, INC. (US) 1995-05-11 WO claimed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP claimed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP claimed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP claimed
US-4386216-A ZWITTERIONIC CARBONIUM SULFONATE XANTHENE COMPOUNDS POLAROID CORPORATION (US) 1983-05-31 US claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 NOS3 96/4885NOS1 402/4885NOS2 514/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 NOS3 123/4885NOS1 485/4885NOS2 583/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 NOS3 123/4885NOS1 485/4885NOS2 583/4885

“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.