SCHEMBL3203564

SCHEMBL3203564

CC(C)(C)OC(=O)C(N)Cc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.45
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
PMP22 Q01453 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
LTA4H P09960 1/20 0.39
PTPN1 P18031 1/20 0.39
GRB2 P62993 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL6666822 1.00 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7164479 0.88 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL23766688 0.88 CYP3A4 (0.43) SLC7A5CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL17978113 0.87 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL630703 0.87 SLC7A5 (0.57) SLC7A5
SCHEMBL7464405 0.87 SLC7A5 (0.57) SLC7A5
SCHEMBL17978114 0.87 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL594571 0.87 SLC7A5 (0.57) SLC7A5
SCHEMBL16355708 0.86 TP53 (0.45) SLC7A5PTPN1GRB2DPP4DPP8
SCHEMBL7340685 0.86 CTSS (0.47) SLC7A5CYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687297-B1 TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES PROMETIC BIOSCIENCES INC (CA) 2014-06-18 EP disclosed
US-7683061-B2 Triazine dimers for the treatment of autoimmune diseases PROMETIC BIOSCIENCES INC. (CA) 2010-03-23 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases PROMETIC PHARMA SMT LIMITED (GB) 2007-06-28 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7105701-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2006-09-12 US disclosed
US-20060183918-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-17 US disclosed
US-20020055651-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2002-05-09 US disclosed
WO-2001042193-A1 β2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2001-06-14 WO disclosed
EP-1082289-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS Advanced Medicine, Inc. (US) 2001-03-14 EP disclosed
EP-1082289-A4 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-14 EP disclosed
EP-1019075-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-12-13 EP disclosed
WO-1999066944-A9 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
EP-1019075-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP disclosed
WO-1999064035-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-06 WO disclosed
WO-1999066944-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-29 WO disclosed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 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 (5 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-20020055651-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B SLC7A5 4017/4885CYP3A4 1843/4885CYP1A2 659/4885
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases SSB, TLR5, ICOS SLC7A5 1479/4885CYP3A4 4067/4885CYP1A2 2257/4885
US-20060183918-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B SLC7A5 4084/4885CYP3A4 1710/4885CYP1A2 666/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B SLC7A5 4063/4885CYP3A4 1760/4885CYP1A2 601/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B SLC7A5 4063/4885CYP3A4 1760/4885CYP1A2 601/4885

“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.